5cox Citations

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.

Abstract

Prostaglandins and glucocorticoids are potent mediators of inflammation. Non-steroidal anti-inflammatory drugs (NSAIDs) exert their effects by inhibition of prostaglandin production. The pharmacological target of NSAIDs is cyclooxygenase (COX, also known as PGH synthase), which catalyses the first committed step in arachidonic-acid metabolism. Two isoforms of the membrane protein COX are known: COX-1, which is constitutively expressed in most tissues, is responsible for the physiological production of prostaglandins; and COX-2, which is induced by cytokines, mitogens and endotoxins in inflammatory cells, is responsible for the elevated production of prostaglandins during inflammation. The structure of ovine COX-1 complexed with several NSAIDs has been determined. Here we report the structures of unliganded murine COX-2 and complexes with flurbiprofen, indomethacin and SC-558, a selective COX-2 inhibitor, determined at 3.0 to 2.5 A resolution. These structures explain the structural basis for the selective inhibition of COX-2, and demonstrate some of the conformational changes associated with time-dependent inhibition.

Reviews citing this publication (129)

  1. Efficacy and Safety of Celecoxib Therapy in Osteoarthritis: A Meta-Analysis of Randomized Controlled Trials. Xu C, Gu K, Yasen Y, Hou Y. Medicine (Baltimore) 95 e3585 (2016)
  2. Flavonoids: an overview. Panche AN, Diwan AD, Chandra SR. J Nutr Sci 5 e47 (2016)
  3. Recent developments in chimeric NSAIDs as safer anti-inflammatory agents. Suthar SK, Sharma M. Med Res Rev 35 341-407 (2015)
  4. Molecular basis for nonspecificity of nonsteroidal anti-inflammatory drugs (NSAIDs). Dwivedi AK, Gurjar V, Kumar S, Singh N. Drug Discov. Today 20 863-873 (2015)
  5. From plant extract to molecular panacea: a commentary on Stone (1763) 'An account of the success of the bark of the willow in the cure of the agues'. Wood JN. Philos. Trans. R. Soc. Lond., B, Biol. Sci. 370 (2015)
  6. Cyclooxygenase-2 in epilepsy. Rojas A, Jiang J, Ganesh T, Yang MS, Lelutiu N, Gueorguieva P, Dingledine R. Epilepsia 55 17-25 (2014)
  7. Oxicams, a class of nonsteroidal anti-inflammatory drugs and beyond. Xu S, Rouzer CA, Marnett LJ. IUBMB Life 66 803-811 (2014)
  8. Substrate-selective COX-2 inhibition as a novel strategy for therapeutic endocannabinoid augmentation. Hermanson DJ, Gamble-George JC, Marnett LJ, Patel S. Trends Pharmacol. Sci. 35 358-367 (2014)
  9. Why do a wide variety of animals retain multiple isoforms of cyclooxygenase? Kawamura M, Inaoka H, Obata S, Harada Y. Prostaglandins Other Lipid Mediat. 109-111 14-22 (2014)
  10. [Direction of strategic use: a new classification of non-steroidal anti-inflammatory drugs based on reactivity with peroxidase]. Miura T. Yakugaku Zasshi 133 681-689 (2013)
  11. Use of NSAIDs in treating patients with arthritis. Crofford LJ. Arthritis Res. Ther. 15 Suppl 3 S2 (2013)
  12. Rational approaches to improving selectivity in drug design. Huggins DJ, Sherman W, Tidor B. J. Med. Chem. 55 1424-1444 (2012)
  13. Chemoselective hydroxyl group transformation: an elusive target. Trader DJ, Carlson EE. Mol Biosyst 8 2484-2493 (2012)
  14. Significance of brain tissue oxygenation and the arachidonic acid cascade in stroke. Rink C, Khanna S. Antioxid. Redox Signal. 14 1889-1903 (2011)
  15. Enzymes of the cyclooxygenase pathways of prostanoid biosynthesis. Smith WL, Urade Y, Jakobsson PJ. Chem. Rev. 111 5821-5865 (2011)
  16. Identification of direct protein targets of small molecules. Lomenick B, Olsen RW, Huang J. ACS Chem. Biol. 6 34-46 (2011)
  17. Structure-based drug discovery and protein targets in the CNS. Hubbard RE. Neuropharmacology 60 7-23 (2011)
  18. Prostaglandin H synthase: resolved and unresolved mechanistic issues. Tsai AL, Kulmacz RJ. Arch. Biochem. Biophys. 493 103-124 (2010)
  19. Recent methodologies toward the synthesis of valdecoxib: a potential 3,4-diarylisoxazolyl COX-II inhibitor. Dadiboyena S, Nefzi A. Eur J Med Chem 45 4697-4707 (2010)
  20. Vane's discovery of the mechanism of action of aspirin changed our understanding of its clinical pharmacology. Botting RM. Pharmacol Rep 62 518-525 (2010)
  21. Oxycodone combinations for pain relief. Raffa RB, Pergolizzi JV, Segarnick DJ, Tallarida RJ. Drugs Today 46 379-398 (2010)
  22. Emerging role of cyclooxygenase isoforms in the control of gastrointestinal neuromuscular functions. Fornai M, Antonioli L, Colucci R, Bernardini N, Ghisu N, Tuccori M, De Giorgio R, Del Tacca M, Blandizzi C. Pharmacol. Ther. 125 62-78 (2010)
  23. Lipid metabolites as regulators of airway smooth muscle function. Clarke DL, Dakshinamurti S, Larsson AK, Ward JE, Yamasaki A. Pulm Pharmacol Ther 22 426-435 (2009)
  24. Posttranscriptional and posttranslational determinants of cyclooxygenase expression. Mbonye UR, Song I. BMB Rep 42 552-560 (2009)
  25. Inhibition of arachidonic acid metabolism and its implication on cell proliferation and tumour-angiogenesis. Hyde CA, Missailidis S. Int. Immunopharmacol. 9 701-715 (2009)
  26. Non-redundant functions of cyclooxygenases: oxygenation of endocannabinoids. Rouzer CA, Marnett LJ. J. Biol. Chem. 283 8065-8069 (2008)
  27. [Pre-clinical and clinical profiles of celecoxib, a new specific cyclooxygenase-2 inhibitor]. Kimoto A, Hanaoka A, Sasamata M, Miyata K. Nippon Yakurigaku Zasshi 131 127-136 (2008)
  28. Regulation of intracellular cyclooxygenase levels by gene transcription and protein degradation. Kang YJ, Mbonye UR, DeLong CJ, Wada M, Smith WL. Prog. Lipid Res. 46 108-125 (2007)
  29. Optimizing the patient for surgical treatment of the wound. Myers WT, Leong M, Phillips LG. Clin Plast Surg 34 607-620 (2007)
  30. Expression of recombinant G-protein coupled receptors for structural biology. Mancia F, Hendrickson WA. Mol Biosyst 3 723-734 (2007)
  31. In search of cyclooxygenase inhibitors, anti-Mycobacterium tuberculosis and anti-malarial drugs from Thai flora and microbes. Gale GA, Kirtikara K, Pittayakhajonwut P, Sivichai S, Thebtaranonth Y, Thongpanchang C, Vichai V. Pharmacol. Ther. 115 307-351 (2007)
  32. Clinical pharmacology of celecoxib, a COX-2 selective inhibitor. Antoniou K, Malamas M, Drosos AA. Expert Opin Pharmacother 8 1719-1732 (2007)
  33. Cyclooxygenase (COX) inhibitors and the intestine. Little D, Jones SL, Blikslager AT. J. Vet. Intern. Med. 21 367-377 (2007)
  34. Selective COX-2 inhibitors, eicosanoid synthesis and clinical outcomes: a case study of system failure. James MJ, Cook-Johnson RJ, Cleland LG. Lipids 42 779-785 (2007)
  35. Control of oxygenation in lipoxygenase and cyclooxygenase catalysis. Schneider C, Pratt DA, Porter NA, Brash AR. Chem. Biol. 14 473-488 (2007)
  36. Comparative cardiovascular safety of traditional nonsteroidal anti-inflammatory drugs. Maillard M, Burnier M. Expert Opin Drug Saf 5 83-94 (2006)
  37. The role of the cylooxygenase pathway in nociception and pain. Bingham S, Beswick PJ, Blum DE, Gray NM, Chessell IP. Semin. Cell Dev. Biol. 17 544-554 (2006)
  38. Contributions of cyclooxygenase-2 to neuroplasticity and neuropathology of the central nervous system. Hewett SJ, Bell SC, Hewett JA. Pharmacol. Ther. 112 335-357 (2006)
  39. Nonnarcotic analgesics and hypertension. Gaziano JM. Am. J. Cardiol. 97 10-16 (2006)
  40. Clinical implications of nonopioid analgesia for relief of mild-to-moderate pain in patients with or at risk for cardiovascular disease. Whelton A. Am. J. Cardiol. 97 3-9 (2006)
  41. Cyclooxygenases, lipoxygenases, and epoxygenases in CNS: their role and involvement in neurological disorders. Phillis JW, Horrocks LA, Farooqui AA. Brain Res Rev 52 201-243 (2006)
  42. Prostaglandin E2 synthesis and secretion: the role of PGE2 synthases. Park JY, Pillinger MH, Abramson SB. Clin. Immunol. 119 229-240 (2006)
  43. Cyclooxygenase-2 inhibitors: what went wrong? James MJ, Cleland LG. Curr Opin Clin Nutr Metab Care 9 89-94 (2006)
  44. Biological basis for the cardiovascular consequences of COX-2 inhibition: therapeutic challenges and opportunities. Grosser T, Fries S, FitzGerald GA. J. Clin. Invest. 116 4-15 (2006)
  45. Cyclooxygenase-2 and epidermal growth factor receptor: pharmacologic targets for chemoprevention. Dannenberg AJ, Lippman SM, Mann JR, Subbaramaiah K, DuBois RN. J. Clin. Oncol. 23 254-266 (2005)
  46. Clinical pharmacology of lumiracoxib: a selective cyclo-oxygenase-2 inhibitor. Rordorf CM, Choi L, Marshall P, Mangold JB. Clin Pharmacokinet 44 1247-1266 (2005)
  47. The coxib NSAIDs: potential clinical and pharmacologic importance in veterinary medicine. Bergh MS, Budsberg SC. J. Vet. Intern. Med. 19 633-643 (2005)
  48. Structural and functional differences between cyclooxygenases: fatty acid oxygenases with a critical role in cell signaling. Rouzer CA, Marnett LJ. Biochem. Biophys. Res. Commun. 338 34-44 (2005)
  49. Regulation of cyclooxygenase catalysis by hydroperoxides. Kulmacz RJ. Biochem. Biophys. Res. Commun. 338 25-33 (2005)
  50. Lipid signaling in embryo implantation. Wang H, Dey SK. Prostaglandins Other Lipid Mediat. 77 84-102 (2005)
  51. Lipoxins and aspirin-triggered 15-epi-lipoxins are the first lipid mediators of endogenous anti-inflammation and resolution. Serhan CN. Prostaglandins Leukot. Essent. Fatty Acids 73 141-162 (2005)
  52. Cyclooxygenase-2 and prostaglandin signaling in cholangiocarcinoma. Wu T. Biochim. Biophys. Acta 1755 135-150 (2005)
  53. New insights into COX-2 biology and inhibition. Patrignani P, Tacconelli S, Sciulli MG, Capone ML. Brain Res. Brain Res. Rev. 48 352-359 (2005)
  54. COX-2: a molecular target for colorectal cancer prevention. Brown JR, DuBois RN. J. Clin. Oncol. 23 2840-2855 (2005)
  55. Prostaglandin endoperoxide H synthase inhibitors and other tocolytics in preterm labour. Mitchell BF, Olson DM. Prostaglandins Leukot. Essent. Fatty Acids 70 167-187 (2004)
  56. COX and PPAR: possible interactions in pancreatic cancer. Eibl G, Reber HA, Hines OJ, Go VL. Pancreas 29 247-253 (2004)
  57. Cyclooxygenase-2 (COX-2) in inflammatory and degenerative brain diseases. Minghetti L. J. Neuropathol. Exp. Neurol. 63 901-910 (2004)
  58. Cyclooxygenases in cancer: progress and perspective. Zha S, Yegnasubramanian V, Nelson WG, Isaacs WB, De Marzo AM. Cancer Lett. 215 1-20 (2004)
  59. [Pharmacology and classification of cyclooxygenase inhibitors]. Jouzeau JY, Daouphars M, Benani A, Netter P. Gastroenterol. Clin. Biol. 28 Spec No 3 C7-17 (2004)
  60. The cyclooxygenases. Chandrasekharan NV, Simmons DL. Genome Biol. 5 241 (2004)
  61. Structural commonalities among integral membrane enzymes. Bracey MH, Cravatt BF, Stevens RC. FEBS Lett. 567 159-165 (2004)
  62. Selective cyclooxygenase-2 inhibitors: similarities and differences. Brune K, Hinz B. Scand. J. Rheumatol. 33 1-6 (2004)
  63. Crystal structure of human monoamine oxidase B, a drug target enzyme monotopically inserted into the mitochondrial outer membrane. Binda C, Hubálek F, Li M, Edmondson DE, Mattevi A. FEBS Lett. 564 225-228 (2004)
  64. Effect of nonsteroidal anti-inflammatory drugs on the gastrointestinal tract: diagnosis by wireless capsule endoscopy. Chutkan R, Toubia N. Gastrointest. Endosc. Clin. N. Am. 14 67-85 (2004)
  65. Cyclooxygenase-2 specific inhibitors in the treatment of dysmenorrhea. Harel Z. J Pediatr Adolesc Gynecol 17 75-79 (2004)
  66. Prognostic impact of cyclooxygenase-2 in breast cancer. Denkert C, Winzer KJ, Hauptmann S. Clin. Breast Cancer 4 428-433 (2004)
  67. Cyclooxygenase 2: a molecular target for cancer prevention and treatment. Subbaramaiah K, Dannenberg AJ. Trends Pharmacol. Sci. 24 96-102 (2003)
  68. COX-2 and beyond: Approaches to prostaglandin inhibition in human disease. FitzGerald GA. Nat Rev Drug Discov 2 879-890 (2003)
  69. Dual inhibition of cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX) as a new strategy to provide safer non-steroidal anti-inflammatory drugs. Charlier C, Michaux C. Eur J Med Chem 38 645-659 (2003)
  70. Valdecoxib: a review. Chavez ML, DeKorte CJ. Clin Ther 25 817-851 (2003)
  71. Comparison of the properties of prostaglandin H synthase-1 and -2. Kulmacz RJ, van der Donk WA, Tsai AL. Prog. Lipid Res. 42 377-404 (2003)
  72. Recent advances in de novo design strategy for practical lead identification. Honma T. Med Res Rev 23 606-632 (2003)
  73. Cyclooxygenase-2 inhibitors. Gajraj NM. Anesth. Analg. 96 1720-1738 (2003)
  74. Membrane protein structural biology: the high throughput challenge. Loll PJ. J. Struct. Biol. 142 144-153 (2003)
  75. Free radicals and lipid signaling in endothelial cells. O'Donnell VB. Antioxid. Redox Signal. 5 195-203 (2003)
  76. The development of COX2 inhibitors. Flower RJ. Nat Rev Drug Discov 2 179-191 (2003)
  77. The structure of mammalian cyclooxygenases. Garavito RM, Mulichak AM. Annu Rev Biophys Biomol Struct 32 183-206 (2003)
  78. Clinical pharmacology of etoricoxib: a novel selective COX2 inhibitor. Patrignani P, Capone ML, Tacconelli S. Expert Opin Pharmacother 4 265-284 (2003)
  79. COX-2: a target for colon cancer prevention. Marnett LJ, DuBois RN. Annu. Rev. Pharmacol. Toxicol. 42 55-80 (2002)
  80. Cardiovascular hazard of selective COX-2 inhibitors: myth or reality? Chiolero A, Maillard MP, Burnier M. Expert Opin Drug Saf 1 45-52 (2002)
  81. Biological significance of essential fatty acids/prostanoids/lipoxygenase-derived monohydroxy fatty acids in the skin. Ziboh VA, Cho Y, Mani I, Xi S. Arch. Pharm. Res. 25 747-758 (2002)
  82. Cyclooxygenase 2 selective inhibitors in cancer treatment and prevention. Menter DG. Expert Opin Investig Drugs 11 1749-1764 (2002)
  83. COX-2 inhibitors and their role in gynecology. Hayes EC, Rock JA. Obstet Gynecol Surv 57 768-780 (2002)
  84. The role of cyclooxygenase-2 (COX-2) in breast cancer, and implications of COX-2 inhibition. Singh-Ranger G, Mokbel K. Eur J Surg Oncol 28 729-737 (2002)
  85. Cyclooxygenase-3 (COX-3): filling in the gaps toward a COX continuum? Warner TD, Mitchell JA. Proc. Natl. Acad. Sci. U.S.A. 99 13371-13373 (2002)
  86. Discovery of a new function of cyclooxygenase (COX)-2: COX-2 is a cardioprotective protein that alleviates ischemia/reperfusion injury and mediates the late phase of preconditioning. Bolli R, Shinmura K, Tang XL, Kodani E, Xuan YT, Guo Y, Dawn B. Cardiovasc. Res. 55 506-519 (2002)
  87. [How do aspirin and company work? Cyclooxygenases--point of attack of nonsteroidal antirheumatics]. Steinhilber D. Pharm Unserer Zeit 31 140-144 (2002)
  88. Novel concepts for analgesia in pediatric surgical patients. Cyclo-oxygenase-2 inhibitors, alpha 2-agonists, and opioids. Farrar MW, Lerman J. Anesthesiol Clin North America 20 59-82 (2002)
  89. Cyclooxygenase 2 and the kidney. Breyer MD, Harris RC. Curr. Opin. Nephrol. Hypertens. 10 89-98 (2001)
  90. Cyclo-oxygenase 2: a pharmacological target for the prevention of cancer. Dannenberg AJ, Altorki NK, Boyle JO, Dang C, Howe LR, Weksler BB, Subbaramaiah K. Lancet Oncol. 2 544-551 (2001)
  91. Cyclo-oxygenase isoenzymes. Structural basis for selective inhibition of cyclo-oxygenases by anti-inflammatory agents. Fiorucci S, Antonelli E. Dig Liver Dis 33 Suppl 2 S2-7 (2001)
  92. Therapeutic potential of COX-2 inhibitors in arthritis. Jackson CG. Expert Opin Investig Drugs 10 1317-1325 (2001)
  93. Astrogliosis in the adult and developing CNS: is there a role for proinflammatory cytokines? Little AR, O'Callagha JP. Neurotoxicology 22 607-618 (2001)
  94. Prostaglandin biology. Crofford LJ. Gastroenterol. Clin. North Am. 30 863-876 (2001)
  95. COX-2 and cancer: a new approach to an old problem. Bakhle YS. Br. J. Pharmacol. 134 1137-1150 (2001)
  96. Multimodal analgesia for postoperative pain control. Jin F, Chung F. J Clin Anesth 13 524-539 (2001)
  97. The coxibs, selective inhibitors of cyclooxygenase-2. FitzGerald GA, Patrono C. N. Engl. J. Med. 345 433-442 (2001)
  98. Cyclooxygenase inhibitors: any reservations? Penglis PS, James MJ, Cleland LG. Intern Med J 31 37-41 (2001)
  99. Unorthodox routes to prostanoid formation: new twists in cyclooxygenase-initiated pathways. Serhan CN, Oliw E. J. Clin. Invest. 107 1481-1489 (2001)
  100. COX in a crystal ball: current status and future promise of prostaglandin research. FitzGerald GA, Loll P. J. Clin. Invest. 107 1335-1337 (2001)
  101. Cyclooxygenase inhibitors--current status and future prospects. Dannhardt G, Kiefer W. Eur J Med Chem 36 109-126 (2001)
  102. Cox-2-specific inhibitors: definition of a new therapeutic concept. Verburg KM, Maziasz TJ, Weiner E, Loose L, Geis GS, Isakson PC. Am J Ther 8 49-64 (2001)
  103. Basic biology and clinical application of specific cyclooxygenase-2 inhibitors. Crofford LJ, Lipsky PE, Brooks P, Abramson SB, Simon LS, van de Putte LB. Arthritis Rheum. 43 4-13 (2000)
  104. Selective inhibitors of COX-2--are they safe for the stomach? Giercksky KE, Haglund U, Rask-Madsen J. Scand. J. Gastroenterol. 35 1121-1124 (2000)
  105. Nonsteroidal anti-inflammatory drugs, acetaminophen, cyclooxygenase 2, and fever. Simmons DL, Wagner D, Westover K. Clin. Infect. Dis. 31 Suppl 5 S211-8 (2000)
  106. New insight into the structure and function of the alternative oxidase. Berthold DA, Andersson ME, Nordlund P. Biochim. Biophys. Acta 1460 241-254 (2000)
  107. Cyclooxygenase isoforms in human skin. Goldyne ME. Prostaglandins Other Lipid Mediat. 63 15-23 (2000)
  108. The "aspirin" of the new millennium: cyclooxygenase-2 inhibitors. Buttar NS, Wang KK. Mayo Clin. Proc. 75 1027-1038 (2000)
  109. Helical membrane protein folding, stability, and evolution. Popot JL, Engelman DM. Annu. Rev. Biochem. 69 881-922 (2000)
  110. Cyclooxygenases: structural, cellular, and molecular biology. Smith WL, DeWitt DL, Garavito RM. Annu. Rev. Biochem. 69 145-182 (2000)
  111. Tyrosyl radicals in prostaglandin H synthase-1 and -2. Tsai A, Kulmacz RJ. Prostaglandins Other Lipid Mediat. 62 231-254 (2000)
  112. The molecular perspective: cyclooxygenase-2. Goodsell DS. Stem Cells 18 227-229 (2000)
  113. [COX-2 inhibitors: current status and outlook] Dannhardt G, Hahn L. Pharm Unserer Zeit 29 100-106 (2000)
  114. Reactions of prostaglandin endoperoxide synthase with nitric oxide and peroxynitrite. Goodwin DC, Landino LM, Marnett LJ. Drug Metab. Rev. 31 273-294 (1999)
  115. Carbocations in the synthesis of prostaglandins by the cyclooxygenase of PGH synthase? A radical departure! Dean AM, Dean FM. Protein Sci. 8 1087-1098 (1999)
  116. Role and regulation of cyclooxygenase-2 during inflammation. Simon LS. Am. J. Med. 106 37S-42S (1999)
  117. Membrane protein folding and stability: physical principles. White SH, Wimley WC. Annu Rev Biophys Biomol Struct 28 319-365 (1999)
  118. Cyclooxygenase 2 inhibitors: discovery, selectivity and the future. Marnett LJ, Kalgutkar AS. Trends Pharmacol. Sci. 20 465-469 (1999)
  119. The cyclooxygenase isoforms: structural insights into the conversion of arachidonic acid to prostaglandins. Garavito RM, DeWitt DL. Biochim. Biophys. Acta 1441 278-287 (1999)
  120. Cyclo-oxygenase-2: pharmacology, physiology, biochemistry and relevance to NSAID therapy. Mitchell JA, Warner TD. Br. J. Pharmacol. 128 1121-1132 (1999)
  121. Cyclooxygenase-2 as a target for prevention of colorectal cancer. Bertagnolli MM. Curr Oncol Rep 1 173-178 (1999)
  122. Biochemical pharmacology of nonsteroidal anti-inflammatory drugs. Wu KK. Biochem. Pharmacol. 55 543-547 (1998)
  123. Cyclooxygenase-2 inhibitors in tumorigenesis (part I). Taketo MM. J. Natl. Cancer Inst. 90 1529-1536 (1998)
  124. Mechanism of action of nonsteroidal anti-inflammatory drugs. Yaksh TL, Dirig DM, Malmberg AB. Cancer Invest. 16 509-527 (1998)
  125. Design of selective inhibitors of cyclooxygenase-2 as nonulcerogenic anti-inflammatory agents. Marnett LJ, Kalgutkar AS. Curr Opin Chem Biol 2 482-490 (1998)
  126. Redesigning small molecule-protein interfaces. Clackson T. Curr. Opin. Struct. Biol. 8 451-458 (1998)
  127. Cellular regulation of prostaglandin H synthase catalysis. Kulmacz RJ. FEBS Lett. 430 154-157 (1998)
  128. Cyclooxygenases 1 and 2. Vane JR, Bakhle YS, Botting RM. Annu. Rev. Pharmacol. Toxicol. 38 97-120 (1998)
  129. The isoprostanes: a perspective. Rokach J, Khanapure SP, Hwang SW, Adiyaman M, Lawson JA, FitzGerald GA. Prostaglandins 54 823-851 (1997)

Articles citing this publication (403)

  1. Multiple female reproductive failures in cyclooxygenase 2-deficient mice. Lim H, Paria BC, Das SK, Dinchuk JE, Langenbach R, Trzaskos JM, Dey SK. Cell 91 197-208 (1997)
  2. Systemic biosynthesis of prostacyclin by cyclooxygenase (COX)-2: the human pharmacology of a selective inhibitor of COX-2. McAdam BF, Catella-Lawson F, Mardini IA, Kapoor S, Lawson JA, FitzGerald GA. Proc. Natl. Acad. Sci. U.S.A. 96 272-277 (1999)
  3. Redesigning an FKBP-ligand interface to generate chemical dimerizers with novel specificity. Clackson T, Yang W, Rozamus LW, Hatada M, Amara JF, Rollins CT, Stevenson LF, Magari SR, Wood SA, Courage NL, Lu X, Cerasoli F, Gilman M, Holt DA. Proc. Natl. Acad. Sci. U.S.A. 95 10437-10442 (1998)
  4. Cyclooxygenase-2 inhibition prevents delayed death of CA1 hippocampal neurons following global ischemia. Nakayama M, Uchimura K, Zhu RL, Nagayama T, Rose ME, Stetler RA, Isakson PC, Chen J, Graham SH. Proc. Natl. Acad. Sci. U.S.A. 95 10954-10959 (1998)
  5. Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding. Young T, Abel R, Kim B, Berne BJ, Friesner RA. Proc. Natl. Acad. Sci. U.S.A. 104 808-813 (2007)
  6. Augmented expression of cyclooxygenase-2 in human atherosclerotic lesions. Schönbeck U, Sukhova GK, Graber P, Coulter S, Libby P. Am. J. Pathol. 155 1281-1291 (1999)
  7. Resveratrol analogues as selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationship. Murias M, Handler N, Erker T, Pleban K, Ecker G, Saiko P, Szekeres T, Jäger W. Bioorg. Med. Chem. 12 5571-5578 (2004)
  8. COX-1 and 2, intestinal integrity, and pathogenesis of nonsteroidal anti-inflammatory drug enteropathy in mice. Sigthorsson G, Simpson RJ, Walley M, Anthony A, Foster R, Hotz-Behoftsitz C, Palizban A, Pombo J, Watts J, Morham SG, Bjarnason I. Gastroenterology 122 1913-1923 (2002)
  9. The structure of the membrane protein squalene-hopene cyclase at 2.0 A resolution. Wendt KU, Lenhart A, Schulz GE. J. Mol. Biol. 286 175-187 (1999)
  10. A study of the membrane-water interface region of membrane proteins. Granseth E, von Heijne G, Elofsson A. J. Mol. Biol. 346 377-385 (2005)
  11. Biochemically based design of cyclooxygenase-2 (COX-2) inhibitors: facile conversion of nonsteroidal antiinflammatory drugs to potent and highly selective COX-2 inhibitors. Kalgutkar AS, Crews BC, Rowlinson SW, Marnett AB, Kozak KR, Remmel RP, Marnett LJ. Proc. Natl. Acad. Sci. U.S.A. 97 925-930 (2000)
  12. Induction of an acetaminophen-sensitive cyclooxygenase with reduced sensitivity to nonsteroid antiinflammatory drugs. Simmons DL, Botting RM, Robertson PM, Madsen ML, Vane JR. Proc. Natl. Acad. Sci. U.S.A. 96 3275-3280 (1999)
  13. Expression of G protein coupled receptors in a cell-free translational system using detergents and thioredoxin-fusion vectors. Ishihara G, Goto M, Saeki M, Ito K, Hori T, Kigawa T, Shirouzu M, Yokoyama S. Protein Expr. Purif. 41 27-37 (2005)
  14. The role of cyclooxygenase-2 in cell proliferation and cell death in human malignancies. Sobolewski C, Cerella C, Dicato M, Ghibelli L, Diederich M. Int J Cell Biol 2010 215158 (2010)
  15. Selective visualization of cyclooxygenase-2 in inflammation and cancer by targeted fluorescent imaging agents. Uddin MJ, Crews BC, Blobaum AL, Kingsley PJ, Gorden DL, McIntyre JO, Matrisian LM, Subbaramaiah K, Dannenberg AJ, Piston DW, Marnett LJ. Cancer Res. 70 3618-3627 (2010)
  16. An indomethacin analogue, N-(4-chlorobenzoyl)-melatonin, is a selective inhibitor of aldo-keto reductase 1C3 (type 2 3alpha-HSD, type 5 17beta-HSD, and prostaglandin F synthase), a potential target for the treatment of hormone dependent and hormone independent malignancies. Byrns MC, Steckelbroeck S, Penning TM. Biochem. Pharmacol. 75 484-493 (2008)
  17. Cyclooxygenase Allosterism, Fatty Acid-mediated Cross-talk between Monomers of Cyclooxygenase Homodimers. Yuan C, Sidhu RS, Kuklev DV, Kado Y, Wada M, Song I, Smith WL. J. Biol. Chem. 284 10046-10055 (2009)
  18. The safety profile, tolerability, and effective dose range of rofecoxib in the treatment of rheumatoid arthritis. Phase II Rofecoxib Rheumatoid Arthritis Study Group. Schnitzer TJ, Truitt K, Fleischmann R, Dalgin P, Block J, Zeng Q, Bolognese J, Seidenberg B, Ehrich EW. Clin Ther 21 1688-1702 (1999)
  19. Effect of ginger constituents and synthetic analogues on cyclooxygenase-2 enzyme in intact cells. Tjendraputra E, Tran VH, Liu-Brennan D, Roufogalis BD, Duke CC. Bioorg. Chem. 29 156-163 (2001)
  20. Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1. Rimon G, Sidhu RS, Lauver DA, Lee JY, Sharma NP, Yuan C, Frieler RA, Trievel RC, Lucchesi BR, Smith WL. Proc. Natl. Acad. Sci. U.S.A. 107 28-33 (2010)
  21. Partnering between monomers of cyclooxygenase-2 homodimers. Yuan C, Rieke CJ, Rimon G, Wingerd BA, Smith WL. Proc. Natl. Acad. Sci. U.S.A. 103 6142-6147 (2006)
  22. (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Duggan KC, Hermanson DJ, Musee J, Prusakiewicz JJ, Scheib JL, Carter BD, Banerjee S, Oates JA, Marnett LJ. Nat. Chem. Biol. 7 803-809 (2011)
  23. Enzyme Mechanisms for Polycyclic Triterpene Formation. Wendt KU, Schulz GE, Corey EJ, Liu DR. Angew. Chem. Int. Ed. Engl. 39 2812-2833 (2000)
  24. Cyclooxygenase-2 expression is induced in rat brain after kainate-induced seizures and promotes neuronal death in CA3 hippocampus. Kawaguchi K, Hickey RW, Rose ME, Zhu L, Chen J, Graham SH. Brain Res. 1050 130-137 (2005)
  25. Molecular basis for cyclooxygenase inhibition by the non-steroidal anti-inflammatory drug naproxen. Duggan KC, Walters MJ, Musee J, Harp JM, Kiefer JR, Oates JA, Marnett LJ. J. Biol. Chem. 285 34950-34959 (2010)
  26. Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Garcin ED, Arvai AS, Rosenfeld RJ, Kroeger MD, Crane BR, Andersson G, Andrews G, Hamley PJ, Mallinder PR, Nicholls DJ, St-Gallay SA, Tinker AC, Gensmantel NP, Mete A, Cheshire DR, Connolly S, Stuehr DJ, Aberg A, Wallace AV, Tainer JA, Getzoff ED. Nat. Chem. Biol. 4 700-707 (2008)
  27. The 2.0 A resolution crystal structure of prostaglandin H2 synthase-1: structural insights into an unusual peroxidase. Gupta K, Selinsky BS, Kaub CJ, Katz AK, Loll PJ. J. Mol. Biol. 335 503-518 (2004)
  28. Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition. Limongelli V, Bonomi M, Marinelli L, Gervasio FL, Cavalli A, Novellino E, Parrinello M. Proc. Natl. Acad. Sci. U.S.A. 107 5411-5416 (2010)
  29. The nuclear receptor PPARγ individually responds to serotonin- and fatty acid-metabolites. Waku T, Shiraki T, Oyama T, Maebara K, Nakamori R, Morikawa K. EMBO J. 29 3395-3407 (2010)
  30. Structural basis of fatty acid substrate binding to cyclooxygenase-2. Vecchio AJ, Simmons DM, Malkowski MG. J. Biol. Chem. 285 22152-22163 (2010)
  31. Anandamide activates human platelets through a pathway independent of the arachidonate cascade. Maccarrone M, Bari M, Menichelli A, Del Principe D, Agrò AF. FEBS Lett. 447 277-282 (1999)
  32. Many putative endocrine disruptors inhibit prostaglandin synthesis. Kristensen DM, Skalkam ML, Audouze K, Lesné L, Desdoits-Lethimonier C, Frederiksen H, Brunak S, Skakkebæk NE, Jégou B, Hansen JB, Junker S, Leffers H. Environ. Health Perspect. 119 534-541 (2011)
  33. Critical assessment of the automated AutoDock as a new docking tool for virtual screening. Park H, Lee J, Lee S. Proteins 65 549-554 (2006)
  34. NSAID sulindac and its analog bind RXRalpha and inhibit RXRalpha-dependent AKT signaling. Zhou H, Liu W, Su Y, Wei Z, Liu J, Kolluri SK, Wu H, Cao Y, Chen J, Wu Y, Yan T, Cao X, Gao W, Molotkov A, Jiang F, Li WG, Lin B, Zhang HP, Yu J, Luo SP, Zeng JZ, Duester G, Huang PQ, Zhang XK. Cancer Cell 17 560-573 (2010)
  35. Human mast cells take up and hydrolyze anandamide under the control of 5-lipoxygenase and do not express cannabinoid receptors. Maccarrone M, Fiorucci L, Erba F, Bari M, Finazzi-Agrò A, Ascoli F. FEBS Lett. 468 176-180 (2000)
  36. The structure of glycogen phosphorylase b with an alkyldihydropyridine-dicarboxylic acid compound, a novel and potent inhibitor. Zographos SE, Oikonomakos NG, Tsitsanou KE, Leonidas DD, Chrysina ED, Skamnaki VT, Bischoff H, Goldmann S, Watson KA, Johnson LN. Structure 5 1413-1425 (1997)
  37. Funnel metadynamics as accurate binding free-energy method. Limongelli V, Bonomi M, Parrinello M. Proc. Natl. Acad. Sci. U.S.A. 110 6358-6363 (2013)
  38. Regulation of cyclooxygenase activity by metamizol. Campos C, de Gregorio R, García-Nieto R, Gago F, Ortiz P, Alemany S. Eur. J. Pharmacol. 378 339-347 (1999)
  39. Potential cancer-chemopreventive activities of wine stilbenoids and flavans extracted from grape (Vitis vinifera) cell cultures. Waffo-Téguo P, Hawthorne ME, Cuendet M, Mérillon JM, Kinghorn AD, Pezzuto JM, Mehta RG. Nutr Cancer 40 173-179 (2001)
  40. A generalized born implicit-membrane representation compared to experimental insertion free energies. Ulmschneider MB, Ulmschneider JP, Sansom MS, Di Nola A. Biophys. J. 92 2338-2349 (2007)
  41. 5-Arylidene-2-imino-4-thiazolidinones: design and synthesis of novel anti-inflammatory agents. Ottanà R, Maccari R, Barreca ML, Bruno G, Rotondo A, Rossi A, Chiricosta G, Di Paola R, Sautebin L, Cuzzocrea S, Vigorita MG. Bioorg. Med. Chem. 13 4243-4252 (2005)
  42. Crystal structure and possible catalytic mechanism of microsomal prostaglandin E synthase type 2 (mPGES-2). Yamada T, Komoto J, Watanabe K, Ohmiya Y, Takusagawa F. J. Mol. Biol. 348 1163-1176 (2005)
  43. Drug repurposing: far beyond new targets for old drugs. Oprea TI, Mestres J. AAPS J 14 759-763 (2012)
  44. Recombinant HBsAg inhibits LPS-induced COX-2 expression and IL-18 production by interfering with the NFkappaB pathway in a human monocytic cell line, THP-1. Cheng J, Imanishi H, Morisaki H, Liu W, Nakamura H, Morisaki T, Hada T. J. Hepatol. 43 465-471 (2005)
  45. Ibuprofen: new explanation for an old phenomenon. Stuhlmeier KM, Li H, Kao JJ. Biochem. Pharmacol. 57 313-320 (1999)
  46. Genetic model of selective COX2 inhibition reveals novel heterodimer signaling. Yu Y, Fan J, Chen XS, Wang D, Klein-Szanto AJ, Campbell RL, FitzGerald GA, Funk CD. Nat. Med. 12 699-704 (2006)
  47. COX-1 and COX-2 inhibition in horse blood by phenylbutazone, flunixin, carprofen and meloxicam: an in vitro analysis. Beretta C, Garavaglia G, Cavalli M. Pharmacol. Res. 52 302-306 (2005)
  48. Synthesis and evaluation of transthyretin amyloidosis inhibitors containing carborane pharmacophores. Julius RL, Farha OK, Chiang J, Perry LJ, Hawthorne MF. Proc. Natl. Acad. Sci. U.S.A. 104 4808-4813 (2007)
  49. Regulation of cyclooxygenase 2 expression in hepatocytes by CCAAT/enhancer-binding proteins. Callejas NA, Boscá L, Williams CS, DuBOIS RN, Martín-Sanz P. Gastroenterology 119 493-501 (2000)
  50. Computational studies and peptidomimetic design for the human p53-MDM2 complex. Zhong H, Carlson HA. Proteins 58 222-234 (2005)
  51. Structure-based design of COX-2 selectivity into flurbiprofen. Bayly CI, Black WC, Léger S, Ouimet N, Ouellet M, Percival MD. Bioorg. Med. Chem. Lett. 9 307-312 (1999)
  52. The pyrrole moiety as a template for COX-1/COX-2 inhibitors. Dannhardt G, Kiefer W, Krämer G, Maehrlein S, Nowe U, Fiebich B. Eur J Med Chem 35 499-510 (2000)
  53. Design and synthesis of acyclic triaryl (Z)-olefins: a novel class of cyclooxygenase-2 (COX-2) inhibitors. Uddin MJ, Rao PN, Knaus EE. Bioorg. Med. Chem. 12 5929-5940 (2004)
  54. Identification and functional analysis of cyclooxygenase-1 as a molecular target of boswellic acids. Siemoneit U, Hofmann B, Kather N, Lamkemeyer T, Madlung J, Franke L, Schneider G, Jauch J, Poeckel D, Werz O. Biochem. Pharmacol. 75 503-513 (2008)
  55. Steady-state and time resolved fluorescence of albumins interacting with N-oleylethanolamine, a component of the endogenous N-acylethanolamines. Zolese G, Falcioni G, Bertoli E, Galeazzi R, Wozniak M, Wypych Z, Gratton E, Ambrosini A. Proteins 40 39-48 (2000)
  56. Expression of cyclooxygenase-2 in foetal rat hepatocytes stimulated with lipopolysaccharide and pro-inflammatory cytokines. Martín-Sanz P, Callejas NA, Casado M, Díaz-Guerra MJ, Boscá L. Br. J. Pharmacol. 125 1313-1319 (1998)
  57. Peptide deformylase inhibitors as antibacterial agents: identification of VRC3375, a proline-3-alkylsuccinyl hydroxamate derivative, by using an integrated combinatorial and medicinal chemistry approach. Chen D, Hackbarth C, Ni ZJ, Wu C, Wang W, Jain R, He Y, Bracken K, Weidmann B, Patel DV, Trias J, White RJ, Yuan Z. Antimicrob. Agents Chemother. 48 250-261 (2004)
  58. The multiple pathways of endocannabinoid metabolism: a zoom out. Vandevoorde S, Lambert DM. Chem. Biodivers. 4 1858-1881 (2007)
  59. Design and synthesis of subtype-selective cyclooxygenase (COX) inhibitors derived from thalidomide. Sano H, Noguchi T, Tanatani A, Hashimoto Y, Miyachi H. Bioorg. Med. Chem. 13 3079-3091 (2005)
  60. Amide derivatives of meclofenamic acid as selective cyclooxygenase-2 inhibitors. Kalgutkar AS, Rowlinson SW, Crews BC, Marnett LJ. Bioorg. Med. Chem. Lett. 12 521-524 (2002)
  61. Design, synthesis, and biological evaluation of substituted hydrazone and pyrazole derivatives as selective COX-2 inhibitors: Molecular docking study. El-Sayed MA, Abdel-Aziz NI, Abdel-Aziz AA, El-Azab AS, Asiri YA, Eltahir KE. Bioorg. Med. Chem. 19 3416-3424 (2011)
  62. Crystal structure of protoporphyrinogen oxidase from Myxococcus xanthus and its complex with the inhibitor acifluorfen. Corradi HR, Corrigall AV, Boix E, Mohan CG, Sturrock ED, Meissner PN, Acharya KR. J. Biol. Chem. 281 38625-38633 (2006)
  63. No evidence that polymorphisms in CYP2C8, CYP2C9, UGT1A6, PPARdelta and PPARgamma act as modifiers of the protective effect of regular NSAID use on the risk of colorectal carcinoma. McGreavey LE, Turner F, Smith G, Boylan K, Timothy Bishop D, Forman D, Roland Wolf C, Barrett JH, Colorectal Cancer Study Group. Pharmacogenet. Genomics 15 713-721 (2005)
  64. Synthesis and structure-activity relationship studies of urea-containing pyrazoles as dual inhibitors of cyclooxygenase-2 and soluble epoxide hydrolase. Hwang SH, Wagner KM, Morisseau C, Liu JY, Dong H, Wecksler AT, Hammock BD. J. Med. Chem. 54 3037-3050 (2011)
  65. Synthesis, anti-inflammatory activity and COX-1/COX-2 inhibition of novel substituted cyclic imides. Part 1: Molecular docking study. Abdel-Aziz AA, ElTahir KE, Asiri YA. Eur J Med Chem 46 1648-1655 (2011)
  66. Discovery of novel analgesic and anti-inflammatory 3-arylamine-imidazo[1,2-a]pyridine symbiotic prototypes. Lacerda RB, de Lima CK, da Silva LL, Romeiro NC, Miranda AL, Barreiro EJ, Fraga CA. Bioorg. Med. Chem. 17 74-84 (2009)
  67. Implicit solvent model studies of the interactions of the influenza hemagglutinin fusion peptide with lipid bilayers. Bechor D, Ben-Tal N. Biophys. J. 80 643-655 (2001)
  68. Effects of nimesulide on constitutive and inducible prostanoid biosynthesis in human beings. Panara MR, Padovano R, Sciulli MG, Santini G, Renda G, Rotondo MT, Pace A, Patrono C, Patrignani P. Clin. Pharmacol. Ther. 63 672-681 (1998)
  69. DOCK 6: Impact of new features and current docking performance. Allen WJ, Balius TE, Mukherjee S, Brozell SR, Moustakas DT, Lang PT, Case DA, Kuntz ID, Rizzo RC. J Comput Chem 36 1132-1156 (2015)
  70. Identification and functional characterization of polymorphisms in human cyclooxygenase-1 (PTGS1). Lee CR, Bottone FG, Krahn JM, Li L, Mohrenweiser HW, Cook ME, Petrovich RM, Bell DA, Eling TE, Zeldin DC. Pharmacogenet. Genomics 17 145-160 (2007)
  71. Cyclo-oxygenase-2 mediated prostaglandin release regulates blood flow in connective tissue during mechanical loading in humans. Langberg H, Boushel R, Skovgaard D, Risum N, Kjaer M. J. Physiol. (Lond.) 551 683-689 (2003)
  72. The origin of 15R-prostaglandins in the Caribbean coral Plexaura homomalla: molecular cloning and expression of a novel cyclooxygenase. Valmsen K, Järving I, Boeglin WE, Varvas K, Koljak R, Pehk T, Brash AR, Samel N. Proc. Natl. Acad. Sci. U.S.A. 98 7700-7705 (2001)
  73. HIV-1 coat glycoprotein gp120 induces apoptosis in rat brain neocortex by deranging the arachidonate cascade in favor of prostanoids. Maccarrone M, Bari M, Corasaniti MT, Nisticó R, Bagetta G, Finazzi-Agrò A. J. Neurochem. 75 196-203 (2000)
  74. Bound volatile general anesthetics alter both local protein dynamics and global protein stability. Johansson JS, Zou H, Tanner JW. Anesthesiology 90 235-245 (1999)
  75. Nitric oxide donors activate the cyclo-oxygenase and peroxidase activities of prostaglandin H synthase. Maccarrone M, Putti S, Finazzi Agrò A. FEBS Lett. 410 470-476 (1997)
  76. Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors. Kalid O, Toledo Warshaviak D, Shechter S, Sherman W, Shacham S. J. Comput. Aided Mol. Des. 26 1217-1228 (2012)
  77. Structure-based design of cyclooxygenase-2 selectivity into ketoprofen. Palomer A, Pascual J, Cabré M, Borràs L, González G, Aparici M, Carabaza A, Cabré F, García ML, Mauleón D. Bioorg. Med. Chem. Lett. 12 533-537 (2002)
  78. Regulation of lipid signaling pathways for cell survival and apoptosis by bcl-2 in prostate carcinoma cells. Herrmann JL, Menter DG, Beham A, von Eschenbach A, McDonnell TJ. Exp. Cell Res. 234 442-451 (1997)
  79. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors. Krüger DM, Evers A. ChemMedChem 5 148-158 (2010)
  80. In vitro antiproliferative activity against human colon cancer cell lines of representative 4-thiazolidinones. Part I. Ottanà R, Carotti S, Maccari R, Landini I, Chiricosta G, Caciagli B, Vigorita MG, Mini E. Bioorg. Med. Chem. Lett. 15 3930-3933 (2005)
  81. Differential binding mode of diverse cyclooxygenase inhibitors. Llorens O, Perez JJ, Palomer A, Mauleon D. J. Mol. Graph. Model. 20 359-371 (2002)
  82. A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening. Broughton HB. J. Mol. Graph. Model. 18 247-57 (2000)
  83. Mitragynine inhibits the COX-2 mRNA expression and prostaglandin E₂ production induced by lipopolysaccharide in RAW264.7 macrophage cells. Utar Z, Majid MI, Adenan MI, Jamil MF, Lan TM. J Ethnopharmacol 136 75-82 (2011)
  84. Potent non-nucleoside inhibitors of the measles virus RNA-dependent RNA polymerase complex. Sun A, Yoon JJ, Yin Y, Prussia A, Yang Y, Min J, Plemper RK, Snyder JP. J. Med. Chem. 51 3731-3741 (2008)
  85. Synthesis of novel curcumin analogues and their evaluation as selective cyclooxygenase-1 (COX-1) inhibitors. Handler N, Jaeger W, Puschacher H, Leisser K, Erker T. Chem. Pharm. Bull. 55 64-71 (2007)
  86. COX-2 and Alzheimer's disease: potential roles in inflammation and neurodegeneration. O'Banion MK. Expert Opin Investig Drugs 8 1521-1536 (1999)
  87. Indomethacin improves oxygen-induced retinopathy in the mouse. Nandgaonkar BN, Rotschild T, Yu K, Higgins RD. Pediatr. Res. 46 184-188 (1999)
  88. Effect of aspirin on late preconditioning against myocardial stunning in conscious rabbits. Shinmura K, Kodani E, Xuan YT, Dawn B, Tang XL, Bolli R. J. Am. Coll. Cardiol. 41 1183-1194 (2003)
  89. A comprehensive survey of small-molecule binding pockets in proteins. Gao M, Skolnick J. PLoS Comput. Biol. 9 e1003302 (2013)
  90. Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor. Favia AD, Habrant D, Scarpelli R, Migliore M, Albani C, Bertozzi SM, Dionisi M, Tarozzo G, Piomelli D, Cavalli A, De Vivo M. J. Med. Chem. 55 8807-8826 (2012)
  91. Dinitroglyceryl and diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of aspirin, indomethacin and ibuprofen: synthesis, biological evaluation and nitric oxide release studies. Abdellatif KR, Chowdhury MA, Dong Y, Das D, Yu G, Velázquez CA, Suresh MR, Knaus EE. Bioorg. Med. Chem. Lett. 19 3014-3018 (2009)
  92. A tale of switched functions: from cyclooxygenase inhibition to M-channel modulation in new diphenylamine derivatives. Peretz A, Degani-Katzav N, Talmon M, Danieli E, Gopin A, Malka E, Nachman R, Raz A, Shabat D, Attali B. PLoS ONE 2 e1332 (2007)
  93. Polar substitutions in the benzenesulfonamide ring of celecoxib afford a potent 1,5-diarylpyrazole class of COX-2 inhibitors. Singh SK, Reddy PG, Rao KS, Lohray BB, Misra P, Rajjak SA, Rao YK, Venkateswarlu A. Bioorg. Med. Chem. Lett. 14 499-504 (2004)
  94. Inflammation and cancer: chemical approaches to mechanisms, imaging, and treatment. Marnett LJ. J. Org. Chem. 77 5224-5238 (2012)
  95. Leucine/valine residues direct oxygenation of linoleic acid by (10R)- and (8R)-dioxygenases: expression and site-directed mutagenesis oF (10R)-dioxygenase with epoxyalcohol synthase activity. Garscha U, Oliw EH. J. Biol. Chem. 284 13755-13765 (2009)
  96. Synthesis of 2,3-diaryl-1,3-thiazolidine-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors. Zarghi A, Najafnia L, Daraee B, Dadrass OG, Hedayati M. Bioorg. Med. Chem. Lett. 17 5634-5637 (2007)
  97. Molecular dynamics simulations of arachidonic acid complexes with COX-1 and COX-2: insights into equilibrium behavior. Furse KE, Pratt DA, Porter NA, Lybrand TP. Biochemistry 45 3189-3205 (2006)
  98. Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response. Wesolowski SS, Jorgensen WL. Bioorg. Med. Chem. Lett. 12 267-270 (2002)
  99. Molecular modeling, synthesis and screening of some new 4-thiazolidinone derivatives with promising selective COX-2 inhibitory activity. Unsal-Tan O, Ozadali K, Piskin K, Balkan A. Eur J Med Chem 57 59-64 (2012)
  100. Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis. Palaninathan SK, Mohamedmohaideen NN, Orlandini E, Ortore G, Nencetti S, Lapucci A, Rossello A, Freundlich JS, Sacchettini JC. PLoS ONE 4 e6290 (2009)
  101. Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering. Muthas D, Sabnis YA, Lundborg M, Karlén A. J. Mol. Graph. Model. 26 1237-1251 (2008)
  102. Acute postoperative pain management. Ramsay MA. Proc (Bayl Univ Med Cent) 13 244-247 (2000)
  103. Editorial The cyclooxygenase-2 pathway as a target for treatment or prevention of cancer. Crosby CG, DuBois RN. Expert Opin Emerg Drugs 8 1-7 (2003)
  104. Differential antinociceptive effects induced by a selective cyclooxygenase-2 inhibitor (SC-236) on dorsal horn neurons and spinal withdrawal reflexes in anesthetized spinal rats. You HJ, Mørch CD, Chen J, Arendt-Nielsen L. Neuroscience 121 459-472 (2003)
  105. 6-Alkyl, alkoxy, or alkylthio-substituted 3-(4-methanesulfonylphenyl)-4-phenylpyran-2-ones: a novel class of diarylheterocyclic selective cyclooxygenase-2 inhibitors. Rao PN, Amini M, Li H, Habeeb AG, Knaus EE. Bioorg. Med. Chem. Lett. 13 2205-2209 (2003)
  106. Characterization of the heme environment in Arabidopsis thaliana fatty acid alpha-dioxygenase-1. Liu W, Rogge CE, Bambai B, Palmer G, Tsai AL, Kulmacz RJ. J. Biol. Chem. 279 29805-29815 (2004)
  107. The 2'-Trifluoromethyl Analogue of Indomethacin Is a Potent and Selective COX-2 Inhibitor. Blobaum AL, Uddin MJ, Felts AS, Crews BC, Rouzer CA, Marnett LJ. ACS Med Chem Lett 4 486-490 (2013)
  108. Design, synthesis, and structure-activity relationship studies of fluorescent inhibitors of cycloxygenase-2 as targeted optical imaging agents. Uddin MJ, Crews BC, Ghebreselasie K, Marnett LJ. Bioconjug. Chem. 24 712-723 (2013)
  109. Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Flanagan JU, Yosaatmadja Y, Teague RM, Chai MZ, Turnbull AP, Squire CJ. PLoS ONE 7 e43965 (2012)
  110. Novel anti-inflammatory agents based on pyridazinone scaffold; design, synthesis and in vivo activity. Abouzid K, Bekhit SA. Bioorg. Med. Chem. 16 5547-5556 (2008)
  111. Role of Tyr348 in Tyr385 radical dynamics and cyclooxygenase inhibitor interactions in prostaglandin H synthase-2. Rogge CE, Ho B, Liu W, Kulmacz RJ, Tsai AL. Biochemistry 45 523-532 (2006)
  112. Effect of acetylsalicylic acid on nuclear factor-kappaB activation and on late preconditioning against infarction in the myocardium. Jancso G, Cserepes B, Gasz B, Benko L, Ferencz A, Borsiczky B, Lantos J, Dureja A, Kiss K, Szeberényi J, Roth E. J. Cardiovasc. Pharmacol. 46 295-301 (2005)
  113. Dendritic cells produce eicosanoids, which modulate generation and functions of antigen-presenting cells. Harizi H, Gualde N. Prostaglandins Leukot. Essent. Fatty Acids 66 459-466 (2002)
  114. Defining the COX inhibitor selectivity of NSAIDs: implications for understanding toxicity. Knights KM, Mangoni AA, Miners JO. Expert Rev Clin Pharmacol 3 769-776 (2010)
  115. Fluorinated COX-2 inhibitors as agents in PET imaging of inflammation and cancer. Uddin MJ, Crews BC, Ghebreselasie K, Huda I, Kingsley PJ, Ansari MS, Tantawy MN, Reese J, Marnett LJ. Cancer Prev Res (Phila) 4 1536-1545 (2011)
  116. Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. Steuber H, Heine A, Podjarny A, Klebe G. J. Mol. Biol. 379 991-1016 (2008)
  117. Quantifying intrinsic specificity: a potential complement to affinity in drug screening. Wang J, Zheng X, Yang Y, Drueckhammer D, Yang W, Verkhivker G, Wang E. Phys. Rev. Lett. 99 198101 (2007)
  118. Site-specific proteolysis of cyclooxygenase-2: a putative step in inflammatory prostaglandin E(2) biosynthesis. Mancini A, Jovanovic DV, He QW, Di Battista JA. J. Cell. Biochem. 101 425-441 (2007)
  119. A computational protocol for the integration of the monotopic protein prostaglandin H2 synthase into a phospholipid bilayer. Fowler PW, Coveney PV. Biophys. J. 91 401-410 (2006)
  120. Role of glycosylation and membrane environment in nicotinic acetylcholine receptor stability. daCosta CJ, Kaiser DE, Baenziger JE. Biophys. J. 88 1755-1764 (2005)
  121. Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations. Price ML, Jorgensen WL. Bioorg. Med. Chem. Lett. 11 1541-1544 (2001)
  122. Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes. Malde AK, Mark AE. J. Comput. Aided Mol. Des. 25 1-12 (2011)
  123. Design and synthesis of 3-alkyl-2-aryl-1,3-thiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors. Zebardast T, Zarghi A, Daraie B, Hedayati M, Dadrass OG. Bioorg. Med. Chem. Lett. 19 3162-3165 (2009)
  124. Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2. Wu YH, Ko TP, Guo RT, Hu SM, Chuang LM, Wang AH. Structure 16 1714-1723 (2008)
  125. Design, synthesis, and biological evaluation of substituted 2-alkylthio-1,5-diarylimidazoles as selective COX-2 inhibitors. Navidpour L, Shadnia H, Shafaroodi H, Amini M, Dehpour AR, Shafiee A. Bioorg. Med. Chem. 15 1976-1982 (2007)
  126. Design, synthesis, and biological evaluation of (E)-3-(4-methanesulfonylphenyl)-2-(aryl)acrylic acids as dual inhibitors of cyclooxygenases and lipoxygenases. Moreau A, Chen QH, Praveen Rao PN, Knaus EE. Bioorg. Med. Chem. 14 7716-7727 (2006)
  127. Effect of nonsteroidal anti-inflammatory drugs with varying extent of COX-2-COX-1 selectivity on urinary sodium and potassium excretion in the rat. Harirforoosh S, Jamali F. Can. J. Physiol. Pharmacol. 83 85-90 (2005)
  128. Computational studies of COX-2 inhibitors: 3D-QSAR and docking. Kim HJ, Chae CH, Yi KY, Park KL, Yoo SE. Bioorg. Med. Chem. 12 1629-1641 (2004)
  129. Prostaglandin H synthase-2 inhibitors interfere with prostaglandin H synthase-1 inhibition by nonsteroidal anti-inflammatory drugs. Rosenstock M, Danon A, Rubin M, Rimon G. Eur. J. Pharmacol. 412 101-108 (2001)
  130. Structural basis for selective inhibition of COX-2 by nimesulide. Fabiola GF, Pattabhi V, Nagarajan K. Bioorg. Med. Chem. 6 2337-2344 (1998)
  131. Multitarget fatty acid amide hydrolase/cyclooxygenase blockade suppresses intestinal inflammation and protects against nonsteroidal anti-inflammatory drug-dependent gastrointestinal damage. Sasso O, Migliore M, Habrant D, Armirotti A, Albani C, Summa M, Moreno-Sanz G, Scarpelli R, Piomelli D. FASEB J. 29 2616-2627 (2015)
  132. Ortho-carbaborane derivatives of indomethacin as cyclooxygenase (COX)-2 selective inhibitors. Scholz M, Blobaum AL, Marnett LJ, Hey-Hawkins E. Bioorg. Med. Chem. 20 4830-4837 (2012)
  133. MK-886, an inhibitor of the 5-lipoxygenase-activating protein, inhibits cyclooxygenase-1 activity and suppresses platelet aggregation. Koeberle A, Siemoneit U, Northoff H, Hofmann B, Schneider G, Werz O. Eur. J. Pharmacol. 608 84-90 (2009)
  134. COX-2 localization within plasma membrane caveolae-like structures in human lobular intraepithelial neoplasia of the breast. Perrone G, Zagami M, Altomare V, Battista C, Morini S, Rabitti C. Virchows Arch. 451 1039-1045 (2007)
  135. Shapelets: possibilities and limitations of shape-based virtual screening. Proschak E, Rupp M, Derksen S, Schneider G. J Comput Chem 29 108-114 (2008)
  136. Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands. Datar PA, Khedkar SA, Malde AK, Coutinho EC. J. Comput. Aided Mol. Des. 20 343-360 (2006)
  137. Design, synthesis, and biological evaluation of 1,3-diarylprop-2-en-1-ones : a novel class of cyclooxygenase-2 inhibitors. Zarghi A, Arfaee S, Rao PN, Knaus EE. Bioorg. Med. Chem. 14 2600-2605 (2006)
  138. Selective inhibition of cyclooxygenase (COX)-2 inhibits endothelial cell proliferation by induction of cell cycle arrest. Yazawa K, Tsuno NH, Kitayama J, Kawai K, Okaji Y, Asakage M, Sunami E, Kaisaki S, Hori N, Watanabe T, Takahashi K, Nagawa H. Int. J. Cancer 113 541-548 (2005)
  139. Evaluation of effects of rofecoxib on platelet function in an in vitro model of thrombosis with circulating human blood. Hernandez MR, Tonda R, Pino M, Serradell M, Arderiu G, Escolar G. Eur. J. Clin. Invest. 34 297-302 (2004)
  140. Design and synthesis of novel celecoxib analogues as selective cyclooxygenase-2 (COX-2) inhibitors: replacement of the sulfonamide pharmacophore by a sulfonylazide bioisostere. Uddin MJ, Rao PN, Knaus EE. Bioorg. Med. Chem. 11 5273-5280 (2003)
  141. Antiinflammatory property of 3-aryl-5-(n-propyl)-1,2,4-oxadiazoles and antimicrobial property of 3-aryl-5-(n-propyl)-4,5-dihydro-1,2,4-oxadiazoles: their syntheses and spectroscopic studies. Srivastava RM, de Almeida Lima A, Viana OS, da Costa Silva MJ, Catanho MT, de Morais JO. Bioorg. Med. Chem. 11 1821-1827 (2003)
  142. Molecular modelling of the differential interaction between several non-steroidal anti-inflammatory drugs and human prostaglandin endoperoxide H synthase-2 (h-PGHS-2). Pouplana R, Lozano JJ, Ruiz J. J. Mol. Graph. Model. 20 329-343 (2002)
  143. The structure of ibuprofen bound to cyclooxygenase-2. Orlando BJ, Lucido MJ, Malkowski MG. J. Struct. Biol. 189 62-66 (2015)
  144. Pharmacological evaluation and docking studies of α,β-unsaturated carbonyl based synthetic compounds as inhibitors of secretory phospholipase A₂, cyclooxygenases, lipoxygenase and proinflammatory cytokines. Bukhari SN, Lauro G, Jantan I, Bifulco G, Amjad MW. Bioorg. Med. Chem. 22 4151-4161 (2014)
  145. Novel pyrazolopyrimidine derivatives targeting COXs and iNOS enzymes; design, synthesis and biological evaluation as potential anti-inflammatory agents. Abdelazeem AH, Abdelatef SA, El-Saadi MT, Omar HA, Khan SI, McCurdy CR, El-Moghazy SM. Eur J Pharm Sci 62 197-211 (2014)
  146. Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents. Hassan GS, Abou-Seri SM, Kamel G, Ali MM. Eur J Med Chem 76 482-493 (2014)
  147. Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles. Vitale P, Perrone MG, Malerba P, Lavecchia A, Scilimati A. Eur J Med Chem 74 606-618 (2014)
  148. Rofecoxib analogues possessing a nitric oxide donor sulfohydroxamic acid (SO2NHOH) cyclooxygenase-2 pharmacophore: synthesis, molecular modeling, and biological evaluation as anti-inflammatory agents. Bhardwaj A, Huang Z, Kaur J, Knaus EE. ChemMedChem 7 62-67 (2012)
  149. Preclinical evaluation of a gene therapy treatment for transitional cell carcinoma. Zhang X, Godbey WT. Cancer Gene Ther. 18 34-41 (2011)
  150. Synthesis and biological evaluation of new 4-carboxyl quinoline derivatives as cyclooxygenase-2 inhibitors. Zarghi A, Ghodsi R, Azizi E, Daraie B, Hedayati M, Dadrass OG. Bioorg. Med. Chem. 17 5312-5317 (2009)
  151. Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site. Singh N, Kumar RP, Kumar S, Sharma S, Mir R, Kaur P, Srinivasan A, Singh TP. J. Mol. Recognit. 22 437-445 (2009)
  152. Synthesis and three-dimensional qualitative structure selectivity relationship of 3,5-disubstituted-2,4-thiazolidinedione derivatives as COX2 inhibitors. Ali AM, Saber GE, Mahfouz NM, El-Gendy MA, Radwan AA, Hamid MA. Arch. Pharm. Res. 30 1186-1204 (2007)
  153. Synthesis, docking studies and anti-inflammatory activity of 4,5,6,7-tetrahydro-2H-indazole derivatives. Rosati O, Curini M, Marcotullio MC, Macchiarulo A, Perfumi M, Mattioli L, Rismondo F, Cravotto G. Bioorg. Med. Chem. 15 3463-3473 (2007)
  154. Synthesis and biological evaluation of linear phenylethynylbenzenesulfonamide regioisomers as cyclooxygenase-1/-2 (COX-1/-2) inhibitors. Anana R, Rao PN, Chen QH, Knaus EE. Bioorg. Med. Chem. 14 5259-5265 (2006)
  155. Synthesis and SAR/3D-QSAR studies on the COX-2 inhibitory activity of 1,5-diarylpyrazoles to validate the modified pharmacophore. Singh SK, Saibaba V, Rao KS, Reddy PG, Daga PR, Rajjak SA, Misra P, Rao YK. Eur J Med Chem 40 977-990 (2005)
  156. Design of acyclic triaryl olefins: a new class of potent and selective cyclooxygenase-2 (COX-2) inhibitors. Uddin MJ, Rao PN, Knaus EE. Bioorg. Med. Chem. Lett. 14 1953-1956 (2004)
  157. The formation of stable fatty acid substrate complexes in prostaglandin H(2) synthase-1. Malkowski MG, Theisen MJ, Scharmen A, Garavito RM. Arch. Biochem. Biophys. 380 39-45 (2000)
  158. Discovery of potential anti-inflammatory drugs: diaryl-1,2,4-triazoles bearing N-hydroxyurea moiety as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase. Jiang B, Huang X, Yao H, Jiang J, Wu X, Jiang S, Wang Q, Lu T, Xu J. Org. Biomol. Chem. 12 2114-2127 (2014)
  159. Pre-existent asymmetry in the human cyclooxygenase-2 sequence homodimer. Dong L, Sharma NP, Jurban BJ, Smith WL. J. Biol. Chem. 288 28641-28655 (2013)
  160. Novel 3-substituted-1-aryl-5-phenyl-6-anilinopyrazolo[3,4-d]pyrimidin-4-ones: docking, synthesis and pharmacological evaluation as a potential anti-inflammatory agents. Yewale SB, Ganorkar SB, Baheti KG, Shelke RU. Bioorg. Med. Chem. Lett. 22 6616-6620 (2012)
  161. Synthesis and biological evaluation of isoxazolo[4,5-d]pyridazin-4-(5H)-one analogues as potent anti-inflammatory agents. Özadalı K, Özkanlı F, Jain S, Rao PP, Velázquez-Martínez CA. Bioorg. Med. Chem. 20 2912-2922 (2012)
  162. Specificity quantification of biomolecular recognition and its implication for drug discovery. Yan Z, Wang J. Sci Rep 2 309 (2012)
  163. The structure of NS-398 bound to cyclooxygenase-2. Vecchio AJ, Malkowski MG. J. Struct. Biol. 176 254-258 (2011)
  164. X-ray crystallography: Assessment and validation of protein-small molecule complexes for drug discovery. Cooper DR, Porebski PJ, Chruszcz M, Minor W. Expert Opin Drug Discov 6 771-782 (2011)
  165. Effects of β-glucosidase hydrolyzed products of harpagide and harpagoside on cyclooxygenase-2 (COX-2) in vitro. Zhang L, Feng L, Jia Q, Xu J, Wang R, Wang Z, Wu Y, Li Y. Bioorg. Med. Chem. 19 4882-4886 (2011)
  166. Cancer-relevant biochemical targets of cytotoxic Lonchocarpus flavonoids: a molecular docking analysis. Cassidy CE, Setzer WN. J Mol Model 16 311-326 (2010)
  167. Computer-aided, rational design of a potent and selective small peptide inhibitor of cyclooxygenase 2 (COX2). Rajakrishnan V, Manoj VR, Subba Rao G. J. Biomol. Struct. Dyn. 25 535-542 (2008)
  168. A ligand's-eye view of protein binding. Clark RD. J. Comput. Aided Mol. Des. 22 507-521 (2008)
  169. Chemical and structural diversity in cyclooxygenase protein active sites. Huff RG, Bayram E, Tan H, Knutson ST, Knaggs MH, Richon AB, Santago P, Fetrow JS. Chem. Biodivers. 2 1533-1552 (2005)
  170. Non-carboxylic analogues of arylpropionic acids: synthesis, anti-inflammatory activity and ulcerogenic potential. Metwally KA, Yaseen SH, Lashine el-SM, El-Fayomi HM, El-Sadek ME. Eur J Med Chem 42 152-160 (2007)
  171. Structure-based pharmacophore of COX-2 selective inhibitors and identification of original lead compounds from 3D database searching method. Michaux C, de Leval X, Julémont F, Dogné JM, Pirotte B, Durant F. Eur J Med Chem 41 1446-1455 (2006)
  172. Characterisation of the lowest singlet and triplet excited states of S-flurbiprofen. Jiménez MC, Miranda MA, Tormos R, Vayá I. Photochem. Photobiol. Sci. 3 1038-1041 (2004)
  173. A new class of acyclic 2-alkyl-1,2-diaryl (E)-olefins as selective cyclooxygenase-2 (COX-2) inhibitors. Uddin MJ, Rao PN, Rahim MA, McDonald R, Knaus EE. Bioorg. Med. Chem. Lett. 14 4911-4914 (2004)
  174. Limitations of NSAIDs for pain management: toxicity or lack of efficacy? Payne R. J Pain 1 14-18 (2000)
  175. Convergent synthesis and preliminary biological evaluations of the stilbenolignan (+/-)-aiphanol and various congeners. Banwell MG, Bezos A, Chand S, Dannhardt G, Kiefer W, Nowe U, Parish CR, Savage GP, Ulbrich H. Org. Biomol. Chem. 1 2427-2429 (2003)
  176. Distinct influences of carboxyl terminal segment structure on function in the two isoforms of prostaglandin H synthase. Guo Q, Kulmacz RJ. Arch. Biochem. Biophys. 384 269-279 (2000)
  177. Anandamide and 2-arachidonoylglycerol inhibit fatty acid amide hydrolase by activating the lipoxygenase pathway of the arachidonate cascade. Maccarrone M, Salvati S, Bari M, Finazzi-Agró. Biochem. Biophys. Res. Commun. 278 576-583 (2000)
  178. Synthesis and antiinflammatory, analgesic activity of 3,3'-(1,2-ethanediyl)-bis[2-aryl-4-thiazolidinone] chiral compounds. Part 10. Vigorita MG, Ottanà R, Monforte F, Maccari R, Trovato A, Monforte MT, Taviano MF. Bioorg. Med. Chem. Lett. 11 2791-2794 (2001)
  179. Synthesis, biological evaluation and molecular modeling study of pyrazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents. Tewari AK, Singh VP, Yadav P, Gupta G, Singh A, Goel RK, Shinde P, Mohan CG. Bioorg. Chem. 56 8-15 (2014)
  180. Inactivation of lipoxygenase and cyclooxygenase by natural betalains and semi-synthetic analogues. Vidal PJ, López-Nicolás JM, Gandía-Herrero F, García-Carmona F. Food Chem 154 246-254 (2014)
  181. Oxicams bind in a novel mode to the cyclooxygenase active site via a two-water-mediated H-bonding Network. Xu S, Hermanson DJ, Banerjee S, Ghebreselasie K, Clayton GM, Garavito RM, Marnett LJ. J. Biol. Chem. 289 6799-6808 (2014)
  182. Synthesis of three 18F-labelled cyclooxygenase-2 (COX-2) inhibitors based on a pyrimidine scaffold. Tietz O, Sharma SK, Kaur J, Way J, Marshall A, Wuest M, Wuest F. Org. Biomol. Chem. 11 8052-8064 (2013)
  183. Molecular design, synthesis and biological evaluation of cyclic imides bearing benzenesulfonamide fragment as potential COX-2 inhibitors. Part 2. Al-Suwaidan IA, Alanazi AM, El-Azab AS, Al-Obaid AM, ElTahir KE, Maarouf AR, Abu El-Enin MA, Abdel-Aziz AA. Bioorg. Med. Chem. Lett. 23 2601-2605 (2013)
  184. Diarylheterocycle core ring features effect in selective COX-1 inhibition. Perrone MG, Vitale P, Malerba P, Altomare A, Rizzi R, Lavecchia A, Di Giovanni C, Novellino E, Scilimati A. ChemMedChem 7 629-641 (2012)
  185. Aspirin analogues as dual cyclooxygenase-2/5-lipoxygenase inhibitors: synthesis, nitric oxide release, molecular modeling, and biological evaluation as anti-inflammatory agents. Kaur J, Bhardwaj A, Huang Z, Knaus EE. ChemMedChem 7 144-150 (2012)
  186. Novel anti-inflammatory agents based on pyrazole based dimeric compounds; design, synthesis, docking and in vivo activity. Tewari AK, Srivastava P, Singh VP, Singh A, Goel RK, Mohan CG. Chem. Pharm. Bull. 58 634-638 (2010)
  187. Synthesis, biological evaluation and docking studies of novel benzopyranone congeners for their expected activity as anti-inflammatory, analgesic and antipyretic agents. Eissa AA, Farag NA, Soliman GA. Bioorg. Med. Chem. 17 5059-5070 (2009)
  188. Peroxide-induced radical formation at TYR385 and TYR504 in human PGHS-1. Rogge CE, Liu W, Kulmacz RJ, Tsai AL. J. Inorg. Biochem. 103 912-922 (2009)
  189. Inhibition of 12- and 15-lipoxygenase activities and protection of human and tilapia low density lipoprotein oxidation by I-Tiao-Gung (Glycine tomentella). Chen TY, Shiao MS, Pan BS. Lipids 40 1171-1177 (2005)
  190. Design and synthesis of (Z)-1,2-diphenyl-1-(4-methanesulfonamidophenyl)alk-1-enes and (Z)-1-(4-azidophenyl)-1,2-diphenylalk-1-enes: novel inhibitors of cyclooxygenase-2 (COX-2) with anti-inflammatory and analgesic activity. Uddin MJ, Praveen Rao PN, Knaus EE. Bioorg. Med. Chem. 13 417-424 (2005)
  191. Synthesis and biological evaluation of 2,3-diarylpyrazines and quinoxalines as selective COX-2 inhibitors. Singh SK, Saibaba V, Ravikumar V, Rudrawar SV, Daga P, Rao CS, Akhila V, Hegde P, Rao YK. Bioorg. Med. Chem. 12 1881-1893 (2004)
  192. Non-steroidal anti-inflammatory drugs mediate increased in vitro glial expression of apolipoprotein E protein. Aleong R, Aumont N, Dea D, Poirier J. Eur. J. Neurosci. 18 1428-1438 (2003)
  193. Arachidonate cascade, apoptosis, and vitamin E in peripheral blood mononuclear cells from hemodialysis patients. Maccarrone M, Manca-di-Villahermosa S, Meloni C, Massoud R, Mascali A, Guarina R, Finazzi-Agrò A, Taccone-Gallucci M. Am. J. Kidney Dis. 40 600-610 (2002)
  194. (E)-[2-(4-Methylsulphonylphenyl)-1-cyclopentenyl-1-methyliden](arylmethyloxy)amines. Methyleneaminoxymethyl (MAOM) analogues of diarylcyclopentenyl cyclooxygenase-2 inhibitors: synthesis and biological properties. Balsamo A, Coletta I, Domiano P, Guglielmotti A, Landolfi C, Mancini F, Milanese C, Orlandini E, Rapposelli S, Pinza M, Macchia B. Eur J Med Chem 37 391-398 (2002)
  195. Comparing sixteen scoring functions for predicting biological activities of ligands for protein targets. Xu W, Lucke AJ, Fairlie DP. J. Mol. Graph. Model. 57 76-88 (2015)
  196. Potent, orally available, selective COX-2 inhibitors based on 2-imidazoline core. Sarnpitak P, Mujumdar P, Morisseau C, Hwang SH, Hammock B, Iurchenko V, Zozulya S, Gavalas A, Geronikaki A, Ivanenkov Y, Krasavin M. Eur J Med Chem 84 160-172 (2014)
  197. Fluorophore-labeled cyclooxygenase-2 inhibitors for the imaging of cyclooxygenase-2 overexpression in cancer: synthesis and biological studies. Bhardwaj A, Kaur J, Wuest F, Knaus EE. ChemMedChem 9 109-16 (2014)
  198. Synthesis, pharmacological evaluation and docking studies of N-(benzo[d]thiazol-2-yl)-2-(piperazin-1-yl)acetamide analogs as COX-2 inhibitors. Raghavendra NM, Jyothsna A, Venkateswara Rao A, Subrahmanyam CV. Bioorg. Med. Chem. Lett. 22 820-823 (2012)
  199. Synthesis and biological evaluation of novel pyrazole compounds. Youssef AM, Neeland EG, Villanueva EB, White MS, El-Ashmawy IM, Patrick B, Klegeris A, Abd-El-Aziz AS. Bioorg. Med. Chem. 18 5685-5696 (2010)
  200. Synthesis and investigations of double-pharmacophore ligands for treatment of chronic and neuropathic pain. Vardanyan R, Vijay G, Nichol GS, Liu L, Kumarasinghe I, Davis P, Vanderah T, Porreca F, Lai J, Hruby VJ. Bioorg. Med. Chem. 17 5044-5053 (2009)
  201. Pyrazolo[3,4-d]pyrimidine derivatives as COX-2 selective inhibitors: synthesis and molecular modelling studies. Raffa D, Maggio B, Plescia F, Cascioferro S, Raimondi MV, Plescia S, Cusimano MG. Arch. Pharm. (Weinheim) 342 321-326 (2009)
  202. An effective docking strategy for virtual screening based on multi-objective optimization algorithm. Li H, Zhang H, Zheng M, Luo J, Kang L, Liu X, Wang X, Jiang H. BMC Bioinformatics 10 58 (2009)
  203. Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents. Biava M, Porretta GC, Poce G, Supino S, Manetti F, Forli S, Botta M, Sautebin L, Rossi A, Pergola C, Ghelardini C, Norcini M, Makovec F, Giordani A, Anzellotti P, Cirilli R, Ferretti R, Gallinella B, La Torre F, Anzini M, Patrignani P. Bioorg. Med. Chem. 16 8072-8081 (2008)
  204. Novel 2-(4-methylsulfonylphenyl)pyrimidine derivatives as highly potent and specific COX-2 inhibitors. Orjales A, Mosquera R, López B, Olivera R, Labeaga L, Núñez MT. Bioorg. Med. Chem. 16 2183-2199 (2008)
  205. KATP channel openers: tissue selectivity of original 3-alkylaminopyrido- and 3-alkylaminobenzothiadiazine 1,1-dioxides. Lebrun P, Becker B, Morel N, Ghisdal P, Antoine MH, de Tullio P, Pirotte B. Biochem. Pharmacol. 75 468-475 (2008)
  206. Recognition forces in ligand-protein complexes: blending information from different sources. Ermondi G, Caron G. Biochem. Pharmacol. 72 1633-1645 (2006)
  207. Radiosynthesis and in vivo evaluation of 11C-labeled 1,5-diarylpyrazole derivatives for mapping cyclooxygenases. Fujisaki Y, Kawamura K, Wang WF, Ishiwata K, Yamamoto F, Kuwano T, Ono M, Maeda M. Ann Nucl Med 19 617-625 (2005)
  208. The N-terminal membrane anchor domain of the membrane-bound prostacyclin synthase involved in the substrate presentation of the coupling reaction with cyclooxygenase. Ruan KH, Deng H, Wu J, So SP. Arch. Biochem. Biophys. 435 372-381 (2005)
  209. Quantitative structure-activity relationship analysis of a series of 2,3-diaryl benzopyran analogues as novel selective cyclooxygenase-2 inhibitors. Prasanna S, Manivannan E, Chaturvedi SC. Bioorg. Med. Chem. Lett. 14 4005-4011 (2004)
  210. Synthesis and biological testing of Acyl-CoA-ketoprofen conjugates as selective irreversible inhibitors of COX-2. Levoin N, Chrétien F, Lapicque F, Chapleur Y. Bioorg. Med. Chem. 10 753-757 (2002)
  211. Letter Progress away from 'no crystals, no grant'. Preusch PC, Norvell JC, Cassatt JC, Cassman M. Nat. Struct. Biol. 5 12-14 (1998)
  212. Comparison of prostaglandin H synthase isoform structures using limited proteolytic digestion. Guo Q, Chang S, Diekman L, Xiao G, Kulmacz RJ. Arch. Biochem. Biophys. 344 150-158 (1997)
  213. Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: anti-inflammatory and analgesic activities. Alanazi AM, El-Azab AS, Al-Suwaidan IA, ElTahir KE, Asiri YA, Abdel-Aziz NI, Abdel-Aziz AA. Eur J Med Chem 92 115-123 (2015)
  214. Design, synthesis and biological evaluation of novel diphenylthiazole-based cyclooxygenase inhibitors as potential anticancer agents. Abdelazeem AH, Gouda AM, Omar HA, Tolba MF. Bioorg. Chem. 57 132-141 (2014)
  215. Flavonoids inhibit COX-1 and COX-2 enzymes and cytokine/chemokine production in human whole blood. Ribeiro D, Freitas M, Tomé SM, Silva AM, Laufer S, Lima JL, Fernandes E. Inflammation 38 858-870 (2015)
  216. Inhibition of prostaglandin E(2) production by synthetic minor prenylated chalcones and flavonoids: synthesis, biological activity, crystal structure, and in silico evaluation. Rullah K, Mohd Aluwi MF, Yamin BM, Abdul Bahari MN, Wei LS, Ahmad S, Abas F, Ismail NH, Jantan I, Wai LK. Bioorg. Med. Chem. Lett. 24 3826-3834 (2014)
  217. Rational design, synthesis and evaluation of chromone-indole and chromone-pyrazole based conjugates: identification of a lead for anti-inflammatory drug. Shaveta, Singh A, Kaur M, Sharma S, Bhatti R, Singh P. Eur J Med Chem 77 185-192 (2014)
  218. Cyclooxygenase-2 catalysis and inhibition in lipid bilayer nanodiscs. Orlando BJ, McDougle DR, Lucido MJ, Eng ET, Graham LA, Schneider C, Stokes DL, Das A, Malkowski MG. Arch. Biochem. Biophys. 546 33-40 (2014)
  219. Synthesis of Diarylpyrazoles Containing a Phenylsulphone or Carbonitrile Moiety and their Chalcones as Possible Anti-Inflammatory Agents. Nassar E, Abdel-Aziz HA, Ibrahim HS, Mansour AM. Sci Pharm 79 507-524 (2011)
  220. Synthesis and biological evaluation of loxoprofen derivatives. Yamakawa N, Suemasu S, Matoyama M, Tanaka K, Katsu T, Miyata K, Okamoto Y, Otsuka M, Mizushima T. Bioorg. Med. Chem. 19 3299-3311 (2011)
  221. Design, synthesis, and biological evaluation of 1,5-diaryl-1,2,4-triazole derivatives as selective cyclooxygenase-2 inhibitors. Jiang B, Zeng Y, Li MJ, Xu JY, Zhang YN, Wang QJ, Sun NY, Lu T, Wu XM. Arch. Pharm. (Weinheim) 343 500-508 (2010)
  222. Design, synthesis and evaluation of aspirin analogues having an additional carboxylate substituent for antithrombotic activity. Alagha A, Moman E, Adamo MF, Nolan KB, Chubb AJ. Bioorg. Med. Chem. Lett. 19 4213-4216 (2009)
  223. Interaction of cucurbitacins with human serum albumin: Thermodynamic characteristics and influence on the binding of site specific ligands. Abou-Khalil R, Jraij A, Magdalou J, Ouaini N, Tome D, Greige-Gerges H. J. Photochem. Photobiol. B, Biol. 95 189-195 (2009)
  224. Interaction of calcineurin with its activator, chlorogenic acid revealed by spectroscopic methods. Yin Y, Xie M, Wu H, Jiang M, Zheng J, Wei Q. Biochimie 91 820-825 (2009)
  225. Comparison of etoricoxib vs. ketorolac in postoperative pain relief. Lenz H, Raeder J. Acta Anaesthesiol Scand 52 1278-1284 (2008)
  226. Design and synthesis of 1,3-diarylurea derivatives as selective cyclooxygenase (COX-2) inhibitors. Zarghi A, Kakhgi S, Hadipoor A, Daraee B, Dadrass OG, Hedayati M. Bioorg. Med. Chem. Lett. 18 1336-1339 (2008)
  227. The furoxan system: design of selective nitric oxide (NO) donor inhibitors of COX-2 endowed with anti-aggregatory and vasodilating activities. Del Grosso E, Boschi D, Lazzarato L, Cena C, Di Stilo A, Fruttero R, Moro S, Gasco A. Chem. Biodivers. 2 886-900 (2005)
  228. Design and synthesis of (E)-1,1,2-triarylethenes: novel inhibitors of the cyclooxygenase-2 (COX-2) isozyme. Uddin MJ, Rao PN, McDonald R, Knaus EE. Bioorg. Med. Chem. Lett. 15 439-442 (2005)
  229. 4-substituted 1,5-diarylpyrazole, analogues of celecoxib: synthesis and preliminary evaluation of biological properties. Menozzi G, Merello L, Fossa P, Mosti L, Piana A, Mattioli F. Farmaco 58 795-808 (2003)
  230. Potent multitarget FAAH-COX inhibitors: Design and structure-activity relationship studies. Migliore M, Habrant D, Sasso O, Albani C, Bertozzi SM, Armirotti A, Piomelli D, Scarpelli R. Eur J Med Chem 109 216-237 (2016)
  231. Pharmacogenetics of analgesic drugs. Cregg R, Russo G, Gubbay A, Branford R, Sato H. Br J Pain 7 189-208 (2013)
  232. Novel thiazolo[3,2-b]-1,2,4-triazoles derived from naproxen with analgesic/anti-inflammatory properties: Synthesis, biological evaluation and molecular modeling studies. Sarigol D, Uzgoren-Baran A, Tel BC, Somuncuoglu EI, Kazkayasi I, Ozadali-Sari K, Unsal-Tan O, Okay G, Ertan M, Tozkoparan B. Bioorg. Med. Chem. 23 2518-2528 (2015)
  233. Chemical and protein structural basis for biological crosstalk between PPARα and COX enzymes. Cleves AE, Jain AN. J. Comput. Aided Mol. Des. 29 101-112 (2015)
  234. Studies of synthetic chalcone derivatives as potential inhibitors of secretory phospholipase A2, cyclooxygenases, lipoxygenase and pro-inflammatory cytokines. Jantan I, Bukhari SN, Adekoya OA, Sylte I. Drug Des Devel Ther 8 1405-1418 (2014)
  235. The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. Abibi A, Ferguson AD, Fleming PR, Gao N, Hajec LI, Hu J, Laganas VA, McKinney DC, McLeod SM, Prince DB, Shapiro AB, Buurman ET. J. Biol. Chem. 289 21651-21662 (2014)
  236. Beneficial effects of cocoa on lipid peroxidation and inflammatory markers in type 2 diabetic patients and investigation of probable interactions of cocoa active ingredients with prostaglandin synthase-2 (PTGS-2/COX-2) using virtual analysis. Parsaeyan N, Mozaffari-Khosravi H, Absalan A, Mozayan MR. J Diabetes Metab Disord 13 30 (2014)
  237. Dual evaluation of some novel 2-amino-substituted coumarinylthiazoles as anti-inflammatory-antimicrobial agents and their docking studies with COX-1/COX-2 active sites. Chandak N, Kumar P, Kumar P, Kaushik P, Varshney P, Sharma C, Kaushik D, Jain S, Aneja KR, Sharma PK. J Enzyme Inhib Med Chem 29 476-484 (2014)
  238. Surgical suture assembled with polymeric drug-delivery sheet for sustained, local pain relief. Lee JE, Park S, Park M, Kim MH, Park CG, Lee SH, Choi SY, Kim BH, Park HJ, Park JH, Heo CY, Choy YB. Acta Biomater 9 8318-8327 (2013)
  239. Synthesis of novel 1,3,4-trisubstituted pyrazoles as anti-inflammatory and analgesic agents. Ragab FA, Abdel Gawad NM, Georgey HH, Said MF. Eur J Med Chem 63 645-654 (2013)
  240. Synthesis, biological evaluation and molecular modeling of dihydro-pyrazolyl-thiazolinone derivatives as potential COX-2 inhibitors. Qiu KM, Yan R, Xing M, Wang HH, Cui HE, Gong HB, Zhu HL. Bioorg. Med. Chem. 20 6648-6654 (2012)
  241. Indole based cyclooxygenase inhibitors: synthesis, biological evaluation, docking and NMR screening. Estevão MS, Carvalho LC, Freitas M, Gomes A, Viegas A, Manso J, Erhardt S, Fernandes E, Cabrita EJ, Marques MM. Eur J Med Chem 54 823-833 (2012)
  242. Indomethacin induction of metamorphosis from the asexual stage to sexual stage in the moon jellyfish, Aurelia aurita. Kuniyoshi H, Okumura I, Kuroda R, Tsujita N, Arakawa K, Shoji J, Saito T, Osada H. Biosci. Biotechnol. Biochem. 76 1397-1400 (2012)
  243. Aspirin: pharmacology and clinical applications. Paez Espinosa EV, Murad JP, Khasawneh FT. Thrombosis 2012 173124 (2012)
  244. Observation of an unusual electronically distorted semiquinone radical of PCB metabolites in the active site of prostaglandin H synthase-2. Wangpradit O, Moman E, Nolan KB, Buettner GR, Robertson LW, Luthe G. Chemosphere 81 1501-1508 (2010)
  245. An estimation method of binding free energy in terms of ABEEMσπ/MM and continuum electrostatics fused into LIE method. Chen SL, Zhao DX, Yang ZZ. J Comput Chem 32 338-348 (2011)
  246. Physical evidence for substrate binding in preventing cyclooxygenase inactivation under nitrative stress. Deeb RS, Cheung C, Nuriel T, Lamon BD, Upmacis RK, Gross SS, Hajjar DP. J. Am. Chem. Soc. 132 3914-3922 (2010)
  247. Cyclooxygenase competitive inhibitors alter tyrosyl radical dynamics in prostaglandin H synthase-2. Wu G, Tsai AL, Kulmacz RJ. Biochemistry 48 11902-11911 (2009)
  248. The influence of double bond geometry in the inhibition of cyclooxygenases by sulindac derivatives. Walters MJ, Blobaum AL, Kingsley PJ, Felts AS, Sulikowski GA, Marnett LJ. Bioorg. Med. Chem. Lett. 19 3271-3274 (2009)
  249. Cyclooxygenase-2 Gly587Arg variant is associated with differential enzymatic activity and risk of esophageal squamous-cell carcinoma. Zhao D, Zhang X, Guo Y, Tan W, Lin D. Mol. Carcinog. 48 934-941 (2009)
  250. Novel 6-methanesulfonamide-3,4-methylenedioxyphenyl-N-acylhydrazones: orally effective anti-inflammatory drug candidates. Tributino JL, Duarte CD, Corrêa RS, Doriguetto AC, Ellena J, Romeiro NC, Castro NG, Miranda AL, Barreiro EJ, Fraga CA. Bioorg. Med. Chem. 17 1125-1131 (2009)
  251. Synthesis of some pyrazolyl benzenesulfonamide derivatives as dual anti-inflammatory antimicrobial agents. Bekhit AA, Ashour HM, Bekhit Ael-D, Abdel-Rahman HM, Bekhit SA. J Enzyme Inhib Med Chem 24 296-309 (2009)
  252. Studies on 1,2,4-triazole derivatives as potential anti-inflammatory agents. Turan-Zitouni G, Kaplancikli ZA, Ozdemir A, Chevallet P, Kandilci HB, Gümüsel B. Arch. Pharm. (Weinheim) 340 586-590 (2007)
  253. Spatio-temporal localization of HIF-1alpha and COX-2 during irradiation-induced oral mucositis in a rat model system. Feng CJ, Guo JB, Jiang HW, Zhu SX, Li CY, Cheng B, Chen Y, Wang HY. Int. J. Radiat. Biol. 84 35-45 (2008)
  254. Cyclooxygenase-2 inhibition increases gastric tone and delays gastric emptying in rats. Santos CL, Medeiros BA, Palheta-Junior RC, Macedo GM, Nobre-e-Souza MA, Troncon LE, Santos AA, Souza MH. Neurogastroenterol. Motil. 19 225-232 (2007)
  255. Design, syntheses, biological evaluation, and docking studies of 2-substituted 5-methylsulfonyl-1-phenyl-1H-indoles: potent and selective in vitro cyclooxygenase-2 inhibitors. Cruz-López O, Díaz-Mochón JJ, Campos JM, Entrena A, Núñez MT, Labeaga L, Orjales A, Gallo MA, Espinosa A. ChemMedChem 2 88-100 (2007)
  256. 5-Substituted-2,3-diphenyltetrahydrofurans: a new class of moderately selective COX-2 inhibitors. Singh P, Mittal A, Kaur S, Kumar S. Bioorg. Med. Chem. 14 7910-7916 (2006)
  257. A new potential cyclooxygenase-2 inhibitor, pyridinic analogue of nimesulide. Michaux C, Charlier C, Julémont F, de Leval X, Dogné JM, Pirotte B, Durant F. Eur J Med Chem 40 1316-1324 (2005)
  258. Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors. Park H, Lee S. J. Comput. Aided Mol. Des. 19 17-31 (2005)
  259. A CoMFA study of COX-2 inhibitors with receptor based alignment. Datar PA, Coutinho EC. J. Mol. Graph. Model. 23 239-251 (2004)
  260. A minimalist approach to fragment-based ligand design using common rings and linkers: application to kinase inhibitors. Aronov AM, Bemis GW. Proteins 57 36-50 (2004)
  261. Methanesulfonamide group at position-4 of the C-5-phenyl ring of 1,5-diarylpyrazole affords a potent class of cyclooxygenase-2 (COX-2) inhibitors. Singh SK, Vobbalareddy S, Shivaramakrishna S, Krishnamraju A, Rajjak SA, Casturi SR, Akhila V, Rao YK. Bioorg. Med. Chem. Lett. 14 1683-1688 (2004)
  262. Manipulation of kinetic profiles in 2-aryl propionic acid cyclooxygenase inhibitors. Gupta K, Kaub CJ, Carey KN, Casillas EG, Selinsky BS, Loll PJ. Bioorg. Med. Chem. Lett. 14 667-671 (2004)
  263. Preventing NSAID Toxicity to the Upper Gastrointestinal Tract. Scheiman JM. Curr Treat Options Gastroenterol 2 205-213 (1999)
  264. Ultrafast protein structure-based virtual screening with Panther. Niinivehmas SP, Salokas K, Lätti S, Raunio H, Pentikäinen OT. J. Comput. Aided Mol. Des. 29 989-1006 (2015)
  265. Design, Synthesis, and Evaluation of an (18)F-Labeled Radiotracer Based on Celecoxib-NBD for Positron Emission Tomography (PET) Imaging of Cyclooxygenase-2 (COX-2). Kaur J, Tietz O, Bhardwaj A, Marshall A, Way J, Wuest M, Wuest F. ChemMedChem 10 1635-1640 (2015)
  266. nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Neumann W, Xu S, Sárosi MB, Scholz MS, Crews BC, Ghebreselasie K, Banerjee S, Marnett LJ, Hey-Hawkins E. ChemMedChem 11 175-178 (2016)
  267. 3-methyl-2-phenyl-1-substituted-indole derivatives as indomethacin analogs: design, synthesis and biological evaluation as potential anti-inflammatory and analgesic agents. Abdellatif KR, Lamie PF, Omar HA. J Enzyme Inhib Med Chem 31 318-324 (2016)
  268. Selectivity by small-molecule inhibitors of protein interactions can be driven by protein surface fluctuations. Johnson DK, Karanicolas J. PLoS Comput. Biol. 11 e1004081 (2015)
  269. Anti-inflammatory and antiarthritic activity of anthraquinone derivatives in rodents. Kshirsagar AD, Panchal PV, Harle UN, Nanda RK, Shaikh HM. Int J Inflam 2014 690596 (2014)
  270. Pharmacophore modeling for COX-1 and -2 inhibitors with LigandScout in comparison to Discovery Studio. Temml V, Kaserer T, Kutil Z, Landa P, Vanek T, Schuster D. Future Med Chem 6 1869-1881 (2014)
  271. Novel 1-[4-(Aminosulfonyl)phenyl]-1H-1,2,4-triazole derivatives with remarkable selective COX-2 inhibition: design, synthesis, molecular docking, anti-inflammatory and ulcerogenicity studies. Abuo-Rahma Gel-D, Abdel-Aziz M, Farag NA, Kaoud TS. Eur J Med Chem 83 398-408 (2014)
  272. Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Windsor MA, Valk PL, Xu S, Banerjee S, Marnett LJ. Bioorg. Med. Chem. Lett. 23 5860-5864 (2013)
  273. Synthesis of novel pyrazole and dihydropyrazoles derivatives as potential anti-inflammatory and analgesic agents. Gawad NM, Georgey HH, Ibrahim NA, Amin NH, Abdelsalam RM. Arch. Pharm. Res. 35 807-821 (2012)
  274. Lignin-derived oak phenolics: a theoretical examination of additional potential health benefits of red wine. Setzer WN. J Mol Model 17 1841-1845 (2011)
  275. Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine. Waltenberger B, Schuster D, Paramapojn S, Gritsanapan W, Wolber G, Rollinger JM, Stuppner H. Phytomedicine 18 119-133 (2011)
  276. Polymorphic human prostaglandin H synthase-2 proteins and their interactions with cyclooxygenase substrates and inhibitors. Liu W, Poole EM, Ulrich CM, Kulmacz RJ. Pharmacogenomics J. 11 337-347 (2011)
  277. Modeling the binding modes of stilbene analogs to cyclooxygenase-2: a molecular docking study. Bouaziz-Terrachet S, Toumi-Maouche A, Maouche B, Taïri-Kellou S. J Mol Model 16 1919-1929 (2010)
  278. Retinopathy of prematurity in very low birth weight infants and the potential protective role of indomethacin. Goldman RD, Spierer A, Zhurkovsky A, Kwint J, Schwarcz M, Ben Simon GJ. Ophthalmic Surg Lasers Imaging 41 41-47 (2010)
  279. 2, 3-Diaryl-5-ethylsulfanylmethyltetrahydrofurans as a new class of COX-2 inhibitors and cytotoxic agents. Singh P, Mittal A, Kaur S, Holzer W, Kumar S. Org. Biomol. Chem. 6 2706-2712 (2008)
  280. Characterization of the prostaglandin H2 mimic: binding to the purified human thromboxane A2 receptor in solution. Ruan KH, Wijaya C, Cervantes V, Wu J. Arch. Biochem. Biophys. 477 396-403 (2008)
  281. 5-Heteroatom substituted pyrazoles as canine COX-2 inhibitors. Part III: molecular modeling studies on binding contribution of 1-(5-methylsulfonyl)pyrid-2-yl and 4-nitrile. Sakya SM, Hou X, Minich ML, Rast B, Shavnya A, DeMello KM, Cheng H, Li J, Jaynes BH, Mann DW, Petras CF, Seibel SB, Haven ML. Bioorg. Med. Chem. Lett. 17 1067-1072 (2007)
  282. Coupled atomic charge selectivity for optimal ligand-charge distributions at protein binding sites. Bhat S, Sulea T, Purisima EO. J Comput Chem 27 1899-1907 (2006)
  283. N-acylated sulfonamide sodium salt: a prodrug of choice for the bifunctional 2-hydroxymethyl-4-(5-phenyl-3-trifluoromethyl-pyrazol-1-yl) benzenesulfonamide class of COX-2 inhibitors. Singh SK, Vobbalareddy S, Kalleda SR, Casturi SR, Mullangi R, Ramanujam R, Yeleswarapu KR, Iqbal J. Bioorg. Med. Chem. Lett. 16 3921-3926 (2006)
  284. Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficient. Muñoz-Muriedas J, Perspicace S, Bech N, Guccione S, Orozco M, Luque FJ. J. Comput. Aided Mol. Des. 19 401-419 (2005)
  285. Nitric oxide (NO) modulation of PAF-induced cardiopulmonary action: interaction between NO synthase and cyclo-oxygenase-2 pathways. Fabi F, Calabrese R, Stati T, del Basso P. Br. J. Pharmacol. 134 777-788 (2001)
  286. Pharmacokinetics of indomethacin in sheep after intravenous and intramuscular administration. Vinagre E, Rodríguez C, San Andrés MI, Boggio JC, San Andrés MD, Encinas T. J. Vet. Pharmacol. Ther. 21 309-314 (1998)
  287. Discovery of novel hybrids of diaryl-1,2,4-triazoles and caffeic acid as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase for cancer therapy. Cai H, Huang X, Xu S, Shen H, Zhang P, Huang Y, Jiang J, Sun Y, Jiang B, Wu X, Yao H, Xu J. Eur J Med Chem 108 89-103 (2016)
  288. Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2. Dhanjal JK, Sreenidhi AK, Bafna K, Katiyar SP, Goyal S, Grover A, Sundar D. PLoS ONE 10 e0134691 (2015)
  289. The universal statistical distributions of the affinity, equilibrium constants, kinetics and specificity in biomolecular recognition. Zheng X, Wang J. PLoS Comput. Biol. 11 e1004212 (2015)
  290. Frequency-dependent force fields for QMMM calculations. Harczuk I, Vahtras O, Ågren H. Phys Chem Chem Phys 17 7800-7812 (2015)
  291. Binding Energy Calculation of Patchouli Alcohol Isomer Cyclooxygenase Complexes Suggested as COX-1/COX-2 Selective Inhibitor. Raharjo SJ, Mahdi C, Nurdiana N, Kikuchi T, Fatchiyah F. Adv Bioinformatics 2014 850628 (2014)
  292. Design and synthesis of benzimidazole analogs endowed with oxadiazole as selective COX-2 inhibitor. Rathore A, Rahman MU, Siddiqui AA, Ali A, Shaharyar M. Arch. Pharm. (Weinheim) 347 923-935 (2014)
  293. Manganese-mefenamic acid complexes exhibit high lipoxygenase inhibitory activity. Feng J, Du X, Liu H, Sui X, Zhang C, Tang Y, Zhang J. Dalton Trans 43 10930-10939 (2014)
  294. Indomethacin Analogues that Enhance Doxorubicin Cytotoxicity in Multidrug Resistant Cells without Cox Inhibitory Activity. Arisawa M, Kasaya Y, Obata T, Sasaki T, Ito M, Abe H, Ito Y, Yamano A, Shuto S. ACS Med Chem Lett 2 353-357 (2011)
  295. The bitter barricading of prostaglandin biosynthesis pathway: understanding the molecular mechanism of selective cyclooxygenase-2 inhibition by amarogentin, a secoiridoid glycoside from Swertia chirayita. Shukla S, Bafna K, Sundar D, Thorat SS. PLoS ONE 9 e90637 (2014)
  296. Rationally designed hybrid molecules with appreciable COX-2 inhibitory and anti-nociceptive activities. Singh P, Shaveta, Sharma S, Bhatti R. Bioorg. Med. Chem. Lett. 24 77-82 (2014)
  297. In -silico molecular docking analysis of prodigiosin and cycloprodigiosin as COX-2 inhibitors. Krishna PS, Vani K, Prasad MR, Samatha B, Bindu NS, Charya MA, Reddy Shetty P. Springerplus 2 172 (2013)
  298. Synthesis of 4H-1,4-oxazines as transthyretin amyloid fibril inhibitors. Li W, Duan X, Yan H, Xin H. Org. Biomol. Chem. 11 4546-4550 (2013)
  299. 1,4-Diaryl-substituted triazoles as cyclooxygenase-2 inhibitors: Synthesis, biological evaluation and molecular modeling studies. Kaur J, Bhardwaj A, Sharma SK, Wuest F. Bioorg. Med. Chem. 21 4288-4295 (2013)
  300. Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives. Assadieskandar A, Amirhamzeh A, Salehi M, Ozadali K, Ostad SN, Shafiee A, Amini M. Bioorg. Med. Chem. 21 2355-2362 (2013)
  301. [123I]Iodooctyl fenbufen amide as a SPECT tracer for imaging tumors that over-express COX enzymes. Huang HL, Yeh CN, Lee WY, Huang YC, Chang KW, Lin KJ, Tien SF, Su WC, Yang CH, Chen JT, Lin WJ, Fan SS, Yu CS. Biomaterials 34 3355-3365 (2013)
  302. Evaluation of selective cyclooxygenase-2 inhibitor-induced small bowel injury: randomized cross-over study compared with loxoprofen in healthy subjects. Mizukami K, Murakami K, Yamauchi M, Matsunari O, Ogawa R, Nakagawa Y, Okimoto T, Kodama M, Fujioka T. Dig Endosc 25 288-294 (2013)
  303. Modulation of antigen-induced responses by serotonin and prostaglandin E2 via EP1 and EP4 receptors in the peripheral rat lung. Larsson-Callerfelt AK, Dahlén SE, Kühl AR, Lex D, Uhlig S, Martin C. Eur. J. Pharmacol. 699 141-149 (2013)
  304. Design, synthesis and biological evaluation of new 5,5-diarylhydantoin derivatives as selective cyclooxygenase-2 inhibitors. Zarghi A, Javid FS, Ghodsi R, Dadrass OG, Daraei B, Hedayati M. Sci Pharm 79 449-460 (2011)
  305. The importance of ARG513 as a hydrogen bond anchor to discover COX-2 inhibitors in a virtual screening campaign. Yuniarti N, Ikawati Z, Istyastono EP. Bioinformation 6 164-166 (2011)
  306. Cyclooxygenase reaction mechanism of PGHS--evidence for a reversible transition between a pentadienyl radical and a new tyrosyl radical by nitric oxide trapping. Lü JM, Rogge CE, Wu G, Kulmacz RJ, van der Donk WA, Tsai AL. J. Inorg. Biochem. 105 356-365 (2011)
  307. Pharmacophore elucidation and molecular docking studies on 5-phenyl-1-(3-pyridyl)-1h-1,2,4-triazole-3-carboxylic acid derivatives as COX-2 inhibitors. Lindner M, Sippl W, Radwan AA. Sci Pharm 78 195-214 (2010)
  308. Structural basis for certain naturally occurring bioflavonoids to function as reducing co-substrates of cyclooxygenase I and II. Wang P, Bai HW, Zhu BT. PLoS ONE 5 e12316 (2010)
  309. Hit identification and biological evaluation of anticancer pyrazolopyrimidines endowed with anti-inflammatory activity. Alcaro S, Artese A, Botta M, Zizzari AT, Orallo F, Ortuso F, Schenone S, Brullo C, Yáñez M. ChemMedChem 5 1242-1246 (2010)
  310. Current understanding of the role of PPARγ in gastrointestinal cancers. Zou B, Qiao L, Wong BC. PPAR Res 2009 816957 (2009)
  311. Towards the design of cyclooxygenase (COX) inhibitors based on 4',5 di-substituted biphenyl acetic acid molecules: a QSAR study with a new DFT based descriptor - nucleus independent chemical shift. Sarkar A, Mostafa G. J Mol Model 15 1221-1228 (2009)
  312. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data. Pearlman DA, Rao BG, Charifson P. Proteins 71 1519-1538 (2008)
  313. QSAR analysis of 1,3-diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives as selective COX-2 inhibitors. Silakari P, Shrivastava SD, Silakari G, Kohli DV, Rambabu G, Srivastava S, Shrivastava SK, Silakari O. Eur J Med Chem 43 1559-1569 (2008)
  314. Solution structure of a common substrate mimetic of cyclooxygenase-downstream synthases bound to an engineered thromboxane A2 synthase using a high-resolution NMR technique. Ruan KH, Wu J, Wang LH. Arch. Biochem. Biophys. 444 165-173 (2005)
  315. Synthesis, molecular modelling and enzymatic evaluation of (+/-)3,5-diphenyl-2-thioxoimidazolidin-4-ones as new potential cyclooxygenase inhibitors. Gauthier MP, Michaux C, Rolin S, Vastersaegher C, de Leval X, Julémont F, Pochet L, Masereel B. Bioorg. Med. Chem. 14 918-927 (2006)
  316. Gastrointestinal effects of COX-2 inhibitors. Jackson LM, Hawkey CJ. Expert Opin Investig Drugs 8 963-971 (1999)
  317. Plasmon-waveguide resonance spectroscopy applied to three potential drug targets: cyclooxygenase-2, hepatitis C virus RNA polymerase and integrin alpha V beta 3. Devanathan S, Walker MC, Salamon Z, Tollin G. J Pharm Biomed Anal 36 711-719 (2004)
  318. Elucidation of the mechanism of inhibition of cyclooxygenases by acyl-coenzyme A and acylglucuronic conjugates of ketoprofen. Levoin N, Blondeau C, Guillaume C, Grandcolas L, Chretien F, Jouzeau JY, Benoit E, Chapleur Y, Netter P, Lapicque F. Biochem. Pharmacol. 68 1957-1969 (2004)
  319. A free energy based computational pathway from chemical templates to lead compounds: a case study of COX-2 inhibitors. Latha N, Jain T, Sharma P, Jayaram B. J. Biomol. Struct. Dyn. 21 791-804 (2004)
  320. Synthesis and COX-2 inhibitory properties of N-phenyl- and N-benzyl-substituted amides of 2-(4-methylsulfonylphenyl)cyclopent-1-ene-1-carboxylic acid and of their pyrazole, thiophene and isoxazole analogs. Rapposelli S, Lapucci A, Minutolo F, Orlandini E, Ortore G, Pinza M, Balsamo A. Farmaco 59 25-31 (2004)
  321. Non-steroidal anti-inflammatory drugs (NSAIDs) block the late, prostanoid-dependent/ceramide-independent component of ovarian IL-1 action: implications for the ovulatory process. Ando M, Kol S, Irahara M, Sirois J, Adashi EY. Mol. Cell. Endocrinol. 157 21-30 (1999)
  322. Tomoxiprole selectively inhibits cyclooxygenase-2. West RE, Williams SM, She HS, Carruthers NI, Egan RW, Billah MM. Prostaglandins 54 891-898 (1997)
  323. Comparison of topically applied flurbiprofen or bromfenac ophthalmic solution on post-operative ocular hypertension in canine patients following cataract surgery. Lu J, English R, Nadelstein B, Weigt A, Berdoulay A, Binder D, Ngan E. Vet Ophthalmol 20 107-113 (2017)
  324. Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Lucido MJ, Orlando BJ, Vecchio AJ, Malkowski MG. Biochemistry 55 1226-1238 (2016)
  325. Inhibiting Helicobacter pylori HtrA protease by addressing a computationally predicted allosteric ligand binding site. Perna AM, Reisen F, Schmidt TP, Geppert T, Pillong M, Weisel M, Hoy B, Simister PC, Feller SM, Wessler S, Schneider G. Chem Sci 5 3583-3590 (2014)
  326. Synthesis of Novel Substituted Thiourea and Benzimidazole Derivatives Containing a Pyrazolone Ring as Anti-Inflammatory Agents. Moneer AA, Mohammed KO, El-Nassan HB. Chem Biol Drug Des 87 784-793 (2016)
  327. The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition. Palermo G, Favia AD, Convertino M, De Vivo M. ChemMedChem 11 1252-1258 (2016)
  328. Insertion and self-diffusion of a monotopic protein, the Aquifex aeolicus sulfide quinone reductase, in supported lipid bilayers. Harb F, Prunetti L, Giudici-Orticoni MT, Guiral M, Tinland B. Eur Phys J E Soft Matter 38 110 (2015)
  329. Effects of Common Pesticides on Prostaglandin D2 (PGD2) Inhibition in SC5 Mouse Sertoli Cells, Evidence of Binding at the COX-2 Active Site, and Implications for Endocrine Disruption. Kugathas S, Audouze K, Ermler S, Orton F, Rosivatz E, Scholze M, Kortenkamp A. Environ. Health Perspect. 124 452-459 (2016)
  330. Involvement of electron and hydrogen transfers through redox metabolism on activity and toxicity of the nimesulide. Borges RS, Oliveira JP, Matos RF, Chaves Neto AM, Carneiro AS, Monteiro MC. J Mol Model 21 166 (2015)
  331. Design, synthesis, and anti-inflammatory evaluation of novel diphenylthiazole-thiazolidinone hybrids. Abdelazeem AH, Salama SA, Maghrabi IA. Arch. Pharm. (Weinheim) 348 518-530 (2015)
  332. The conformational stability, solvation and the assignments of the experimental infrared, Raman, (1)H and (13)C NMR spectra of the local anesthetic drug lidocaine. Badawi HM, Förner W, Ali SA. Spectrochim Acta A Mol Biomol Spectrosc 142 382-391 (2015)
  333. Phospho-NSAIDs have enhanced efficacy in mice lacking plasma carboxylesterase: implications for their clinical pharmacology. Wong CC, Cheng KW, Papayannis I, Mattheolabakis G, Huang L, Xie G, Ouyang N, Rigas B. Pharm. Res. 32 1663-1675 (2015)
  334. Propyphenazone-based analogues as prodrugs and selective cyclooxygenase-2 inhibitors. Radwan MF, Dalby KN, Kaoud TS. ACS Med Chem Lett 5 983-988 (2014)
  335. Supramolecular interactions of nonsteroidal anti-inflammatory drug in nanochannels of molecular containers: a spectroscopic, thermogravimetric and microscopic investigation. Maity B, Chatterjee A, Ahmed SA, Seth D. Chemphyschem 15 3502-3514 (2014)
  336. Pharmacological evaluation and preparation of nonsteroidal anti-inflammatory drugs containing an N-acyl hydrazone subunit. de Melo TR, Chelucci RC, Pires ME, Dutra LA, Barbieri KP, Bosquesi PL, Trossini GH, Chung MC, dos Santos JL. Int J Mol Sci 15 5821-5837 (2014)
  337. Synthesis of thio-heterocyclic analogues from Baylis-Hillman bromides as potent cyclooxygenase-2 inhibitors. Santhoshi A, Mahendar B, Mattapally S, Sadhu PS, Banerjee SK, Jayathirtha Rao V. Bioorg. Med. Chem. Lett. 24 1952-1957 (2014)
  338. 1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamides: synthesis, molecular modeling, evaluation of their anti-inflammatory activity and ulcerogenicity. Abdel-Aziz M, Beshr EA, Abdel-Rahman IM, Ozadali K, Tan OU, Aly OM. Eur J Med Chem 77 155-165 (2014)
  339. Evaluation of anti-inflammatory and analgesic effects of synthesized derivatives of ibuprofen. Wang J, Dai D, Qiu Q, Deng X, Lin H, Qian H, Huang W. Chem Biol Drug Des 85 623-632 (2015)
  340. Editorial Alzheimer's disease prevention & acetyl salicylic acid: a believable story. Pomponi M, Pomponi MF. Indian J. Med. Res. 139 1-3 (2014)
  341. Analysis of the molecular structure and vibrational spectra of the indole based analgesic drug indomethacin. Badawi HM, Förner W. Spectrochim Acta A Mol Biomol Spectrosc 123 447-454 (2014)
  342. Synthesis and biological evaluation of some N-arylpyrazoles and pyrazolo[3,4-d]pyridazines as anti-inflammatory agents. El-Sabbagh OI, Mostafa S, Abdel-Aziz HA, Ibrahim HS, Elaasser MM. Arch. Pharm. (Weinheim) 346 688-698 (2013)
  343. Synthesis and in-silico studies of some diaryltriazole derivatives as potential cyclooxygenase inhibitors. Radwan AA, elTahir KE. Arch. Pharm. Res. 36 553-563 (2013)
  344. Design and synthesis of new 1,3-benzdiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors. Zarghi A, Zebardast T, Hajighasemali F, Alipoor E, Daraie B, Hedayati M. Arch. Pharm. (Weinheim) 345 257-264 (2012)
  345. De novo design by pharmacophore-based searches in fragment spaces. Lippert T, Schulz-Gasch T, Roche O, Guba W, Rarey M. J. Comput. Aided Mol. Des. 25 931-945 (2011)
  346. Syntheses and evaluation of anti-inflammatory, analgesic and ulcerogenic activities of 1,3,4-oxadiazole and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives. Chawla G, Kumar U, Bawa S, Kumar J. J Enzyme Inhib Med Chem 27 658-665 (2012)
  347. Design of novel N-phenylnicotinamides as selective cyclooxygenase-1 inhibitors. Shi L, Li ZL, Yang Y, Zhu ZW, Zhu HL. Bioorg. Med. Chem. Lett. 21 121-124 (2011)
  348. Characterization of an AM404 analogue, N-(3-hydroxyphenyl)arachidonoylamide, as a substrate and inactivator of prostaglandin endoperoxide synthase. Turman MV, Kingsley PJ, Marnett LJ. Biochemistry 48 12233-12241 (2009)
  349. Effect of a nonprotein bioactive agent on the reduction of cyclooxygenase-2 and tumor necrosis factor-alpha in human intervertebral disc cells in vitro. Yoshida T, Park JS, Yokosuka K, Jimbo K, Yamada K, Sato K, Nagata K. J Neurosurg Spine 9 411-418 (2008)
  350. Photo-crosslinking of proteins in intact cells reveals a dimeric structure of cyclooxygenase-2 and an inhibitor-sensitive oligomeric structure of microsomal prostaglandin E2 synthase-1. Hétu PO, Ouellet M, Falgueyret JP, Ramachandran C, Robichaud J, Zamboni R, Riendeau D. Arch. Biochem. Biophys. 477 155-162 (2008)
  351. Design, synthesis and pharmacological evaluation of 4-[2-alkylthio-5(4)-(4-substitutedphenyl)imidazole-4(5)yl]benzenesulfonamides as selective COX-2 inhibitors. Salimi M, Ghahremani MH, Naderi N, Amini M, Salimi E, Amanlou M, Abdi K, Salehi R, Shafiee A. Acta Pharmacol. Sin. 28 1254-1260 (2007)
  352. New racemosol derivatives as potent cyclooxygenase (COX) inhibitors. Songarsa S, Rajviroongit S, Sae-Tang D, Hannongbua S, Kirtikara K, Kittakoop P. Chem. Biodivers. 2 1635-1647 (2005)
  353. Identification of 2-hydroxymethyl-4-[5-(4-methoxyphenyl)-3-trifluoromethyl-pyrazol-1-yl]-N-propionylbenzenesulfonamide sodium as a potential COX-2 inhibitor for oral and parenteral administration. Singh SK, Vobbalareddy S, Kalleda SR, Casturi SR, Datla SR, Mamidi RN, Mullangi R, Ramanujam R, Yeleswarapu KR, Iqbal J. Bioorg. Med. Chem. 14 8626-8634 (2006)
  354. Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and II. Kongkathip B, Sangma C, Kirtikara K, Luangkamin S, Hasitapan K, Jongkon N, Hannongbua S, Kongkathip N. Bioorg. Med. Chem. 13 2167-2175 (2005)
  355. Synthesis of (5Z,8Z,11Z,14Z)-18- and 19-azidoeicosa-5,8,11,14-tetraenoic acids and their [5,6,8,9,11,12,14,15-3H8]-analogues through a common synthetic route. Romanov SG, Ivanov IV, Shevchenko VP, Nagaev IY, Pushkov AA, Myasoedov NF, Myagkova GI, Kuhn H. Chem. Phys. Lipids 130 117-126 (2004)
  356. Computer simulation of the interaction of non-steroidal anti-inflammatory drugs: indoprofen and NS398 with cyclooxygenase. Kothekar V, Sahi S, Srinivasan M. J. Biomol. Struct. Dyn. 16 901-915 (1999)
  357. Synthesis and prostaglandin synthase inhibitory activity of new aromatic O-alkyloxime ethers substituted with methylsulfonamido or methylsulfonyl groups on their aliphatic portion. Balsamo A, Mancini F, Milanese C, Orlandini E, Ortore G, Pinza M, Rapposelli S, Rossello A. Farmaco 58 707-714 (2003)
  358. Synthesis, biological activity and molecular modeling studies of novel COX-1 inhibitors. Martić M, Tatić I, Marković S, Kujundzić N, Kostrun S. Eur J Med Chem 39 141-151 (2004)
  359. Geometric preferences of crosslinked protein-derived cofactors reveal a high propensity for near-sequence pairs. Swain MD, Benson DE. Proteins 59 64-71 (2005)
  360. Celecoxib and ankylosing spondylitis. Calin A. Expert Rev Clin Immunol 4 339-349 (2008)
  361. Pyrazolobenzotriazinone derivatives as COX inhibitors: synthesis, biological activity, and molecular-modeling studies. Raffa D, Migliara O, Maggio B, Plescia F, Cascioferro S, Cusimano MG, Tringali G, Cannizzaro C, Plescia F. Arch. Pharm. (Weinheim) 343 631-638 (2010)
  362. Pharmacophore alignment search tool: influence of the third dimension on text-based similarity searching. Hähnke V, Klenner A, Rippmann F, Schneider G. J Comput Chem 32 1618-1634 (2011)
  363. Structural comparisons of arachidonic acid-induced radicals formed by prostaglandin H synthase-1 and -2. Tsai AL, Wu G, Rogge CE, Lü JM, Peng S, van der Donk WA, Palmer G, Gerfen GJ, Kulmacz RJ. J. Inorg. Biochem. 105 366-374 (2011)
  364. Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitors. Wang Q, Birod K, Angioni C, Grösch S, Geppert T, Schneider P, Rupp M, Schneider G. PLoS ONE 6 e21554 (2011)
  365. Lead compound design for TPR/COX dual inhibition. Krishna A, Yadav A. J Mol Model 18 4397-4408 (2012)
  366. Trimethyl-4-oxo-4,5,6,7-tetrahydroindazole-1-acetic acid: a new lead compound with selective COX-2 inhibitory activity. Abdel-Rahman HM, Ozadali K. Arch. Pharm. (Weinheim) 345 878-883 (2012)
  367. Are there any differences among non-steroidal anti-inflammatory drugs? Focus on nimesulide. Dallegri F, Ottonello L. Clin Drug Investig 27 Suppl 1 15-22 (2007)
  368. Conformation and atropisomeric properties of indometacin derivatives. Wakamatsu S, Takahashi Y, Tabata H, Oshitari T, Tani N, Azumaya I, Katsumoto Y, Tanaka T, Hosoi S, Natsugari H, Takahashi H. Chemistry 19 7056-7063 (2013)
  369. Prostaglandin E(2) and insulin-like growth factor I interact to enhance proliferation of theca externa cells from chicken prehierarchical follicles. Jia Y, Lin J, Mi Y, Zhang C. Prostaglandins Other Lipid Mediat. 106 91-98 (2013)
  370. Interactions of selected indole derivatives with COX-2 and their in silico structure modifications towards the development of novel NSAIDs. Dileep KV, Remya C, Tintu I, Sadasivan C. J. Biomol. Struct. Dyn. 32 1855-1863 (2014)
  371. Design, synthesis and structure-activity relationship studies of novel and diverse cyclooxygenase-2 inhibitors as anti-inflammatory drugs. Hayashi S, Ueno N, Murase A, Takada J. J Enzyme Inhib Med Chem 29 846-867 (2014)
  372. Synthesis and biologic evaluation of substituted 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one derivatives as selective COX-2 inhibitors: molecular docking study. Dube PN, Bule SS, Mokale SN, Kumbhare MR, Dighe PR, Ushir YV. Chem Biol Drug Des 84 409-419 (2014)
  373. Novel pyrazoline derivatives as bi-inhibitor of COX-2 and B-Raf in treating cervical carcinoma. Yu M, Yang H, Wu K, Ji Y, Ju L, Lu X. Bioorg. Med. Chem. 22 4109-4118 (2014)
  374. Synthesis and biological activities of 4-aminoantipyrine derivatives derived from betti-type reaction. Mohanram I, Meshram J. ISRN Org Chem 2014 639392 (2014)
  375. Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents. Bukhari SN, Zhang X, Jantan I, Zhu HL, Amjad MW, Masand VH. Chem Biol Drug Des 85 729-742 (2015)
  376. Molecular docking and analgesic studies of Erythrina variegata׳s derived phytochemicals with COX enzymes. Uddin MM, Emran TB, Mahib MM, Dash R. Bioinformation 10 630-636 (2014)
  377. Conformational study of some 4'-substituted 2-(phenylselanyl)-2-(ethylsulfanyl)-acetophenones. Cerqueira CR, Olivato PR, Dal Colle M. Spectrochim Acta A Mol Biomol Spectrosc 139 495-504 (2015)
  378. Antitumor Activities of Ethyl Acetate Extracts from Selaginella doederleinii Hieron In Vitro and In Vivo and Its Possible Mechanism. Wang JZ, Li J, Zhao P, Ma WT, Feng XH, Chen KL. Evid Based Complement Alternat Med 2015 865714 (2015)
  379. Exploration of binding site pattern in arachidonic acid metabolizing enzymes, Cyclooxygenases and Lipoxygenases. Reddy KK, Vidya Rajan VK, Gupta A, Aparoy P, Reddanna P. BMC Res Notes 8 152 (2015)
  380. DNA, the biopolymer as a target material for metalloinsertors: From chemistry to preclinical implications. Raman N, Selvaganapathy M, Sudharsan S. Mater Sci Eng C Mater Biol Appl 53 239-251 (2015)
  381. The study of dual COX-2/5-LOX inhibitors by using electronic-topological approach based on data on the ligand-receptor interactions. Aksakal F, Shvets N, Dimoglo A. J. Mol. Graph. Model. 60 79-88 (2015)
  382. Structure Based Library Design (SBLD) for new 1,4-dihydropyrimidine scaffold as simultaneous COX-1/COX-2 and 5-LOX inhibitors. Lokwani D, Azad R, Sarkate A, Reddanna P, Shinde D. Bioorg. Med. Chem. 23 4533-4543 (2015)
  383. Effect of Rumex Abyssinicus on preneoplastic lesions in dimethylhydrazine induced colon carcinogenesis in rats. Girma B, Yimer G, Makonnen E. BMC Complement Altern Med 15 365 (2015)
  384. Biological activity of a small molecule indole analog, 1-[(1H-indol-3-yl)methylene]-2-phenylhydrazine (HMPH), in chronic inflammation. Misra CS, Gejjalagere Honnappa C, Jitta SR, Gourishetti K, Daram P, Singh MP, Hosur Shrungeswara A, Nayak Y, Unnikrishnan MK. Chem. Biol. Interact. 244 71-83 (2016)
  385. Conservative Secondary Shell Substitution In Cyclooxygenase-2 Reduces Inhibition by Indomethacin Amides and Esters via Altered Enzyme Dynamics. Konkle ME, Blobaum AL, Moth CW, Prusakiewicz JJ, Xu S, Ghebreselasie K, Akingbade D, Jacobs AT, Rouzer CA, Lybrand TP, Marnett LJ. Biochemistry 55 348-359 (2016)
  386. Isoindoline Derivatives of α-Amino Acids as Cyclooxygenase 1 and 2 Inhibitors. Mancilla-Percino T, Trejo-Muñoz CR, Díaz-Gandarilla JA, Talamás-Rohana P, Guzmán Ramírez JE, Cervantes J, Figueroa Ortíz A. Arch. Pharm. (Weinheim) 349 175-185 (2016)
  387. Molecular docking analysis of known flavonoids as duel COX-2 inhibitors in the context of cancer. Dash R, Uddin MM, Hosen SM, Rahim ZB, Dinar AM, Kabir MS, Sultan RA, Islam A, Hossain MK. Bioinformation 11 543-549 (2015)
  388. Design, Synthesis, and Biological Evaluation of New 2-Phenyl-4H-chromen-4-one Derivatives as Selective Cyclooxygenase-2 Inhibitors. Zarghi A, Kakhki S. Sci Pharm 83 15-26 (2015)
  389. Universal statistical fluctuations in thermodynamics and kinetics of single molecular recognition. Zheng X, Wang J. Phys Chem Chem Phys 18 8570-8578 (2016)
  390. Structure-based design, synthesis, molecular docking study and biological evaluation of 1,2,4-triazine derivatives acting as COX/15-LOX inhibitors with anti-oxidant activities. Khoshneviszadeh M, Shahraki O, Khoshneviszadeh M, Foroumadi A, Firuzi O, Edraki N, Nadri H, Moradi A, Shafiee A, Miri R. J Enzyme Inhib Med Chem 31 1602-1611 (2016)
  391. Design, synthesis and preliminary evaluation of the anti-inflammatory of the specific selective targeting druggable enzymome cyclooxygenase-2 (COX-2) small molecule. Sun LL, Wu H, Zhang YZ, Wang R, Wang WY, Wang W, Li SP, Dai L, Zhang ZR. Pharm Biol 54 2505-2514 (2016)
  392. Isoxazole-Based-Scaffold Inhibitors Targeting Cyclooxygenases (COXs). Perrone MG, Vitale P, Panella A, Ferorelli S, Contino M, Lavecchia A, Scilimati A. ChemMedChem 11 1172-1187 (2016)
  393. Discovery of a potent cyclooxygenase-2 inhibitor, S4, through docking-based pharmacophore screening, in vivo and in vitro estimations. Tseng TS, Chuang SM, Hsiao NW, Chen YW, Lee YC, Lin CC, Huang C, Tsai KC. Mol Biosyst 12 2541-2551 (2016)
  394. Synthesis, anti-inflammatory, analgesic, COX-1/2 inhibitory activities and molecular docking studies of substituted 2-mercapto-4(3H)-quinazolinones. Abdel-Aziz AA, Abou-Zeid LA, ElTahir KE, Ayyad RR, El-Sayed MA, El-Azab AS. Eur J Med Chem 121 410-421 (2016)
  395. Docking and Molecular Dynamics Calculations of Pyrrolidinone Analog MMK16 Bound to COX and LOX Enzymes. Neophytou N, Leonis G, Stavrinoudakis N, Simčič M, Grdadolnik SG, Papavassilopoulou E, Michas G, Moutevelis-Minakakis P, Papadopoulos MG, Zing M, Mavromoustakos T. Mol Inform 30 473-486 (2011)
  396. Synthesis of "neoprofen", a rigidified analogue of ibuprofen, exemplifying synthetic methodology for altering the 3-D topology of pharmaceutical substances. Ramsubhag RR, Massaro CL, Dadich CM, Janeczek AJ, Hoang TT, Mazzio EA, Eyunni S, Soliman KF, Dudley GB. Org. Biomol. Chem. 14 7855-7858 (2016)
  397. Evaluation of in vitro and in vivo anti-inflammatory effects of (-)-pseudosemiglabrin, a major phytoconstituent isolated from Tephrosia apollinea (Delile) DC. Hassan LE, Dahham SS, Fadul SM, Umar MI, Majid AS, Khaw KY, Majid AM. J Ethnopharmacol 193 312-320 (2016)
  398. Properties of modified carboxymethyl cellulose and its use as bioactive compound. Basta AH, El-Saied H, El-Deftar MM, El-Henawy AA, El-Sheikh HH, Abdel-Shakour EH, Hasanin MS. Carbohydr Polym 153 641-651 (2016)
  399. Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors. Uddin MJ, Crews BC, Xu S, Ghebreselasie K, Daniel CK, Kingsley PJ, Banerjee S, Marnett LJ. ACS Chem. Biol. 11 3052-3060 (2016)
  400. Anti-inflammatory activity and enhanced COX-2 selectivity of nitric oxide-donating zinc(ii)-NSAID complexes. Lakshman TR, Deb J, Paine TK. Dalton Trans 45 14053-14057 (2016)
  401. Free radical scavenging and COX-2 inhibition by simple colon metabolites of polyphenols: A theoretical approach. Amić A, Marković Z, Marković JM, Jeremić S, Lučić B, Amić D. Comput Biol Chem 65 45-53 (2016)
  402. Synthesis, biological evaluation, docking study and ulcerogenicity profiling of some novel quinoline-2-carboxamides as dual COXs/LOX inhibitors endowed with anti-inflammatory activity. Abdelrahman MH, Youssif BG, Abdelgawad MA, Abdelazeem AH, Ibrahim HM, Moustafa AE, Treamblu L, Bukhari SN. Eur J Med Chem 127 972-985 (2017)
  403. Luminescent iridium(iii) complexes as COX-2-specific imaging agents in cancer cells. Liu C, Yang C, Lu L, Wang W, Tan W, Leung CH, Ma DL. Chem. Commun. (Camb.) 53 2822-2825 (2017)


Related citations provided by authors (1)

  1. Erratum. Structural Basis for Selective Inhibition of Cyclooxygenase-2 by Anti-Inflammatory Agents. Kurumbail RG, Stevens AM, Gierse JK, Mcdonald JJ, Stegeman RA, Pak JY, Gildehaus D, Miyashiro JM, Penning TD, Seibert K, Isakson PC, Stallings WC Nature 385 555- (1997)