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Small-molecule inhibition of TNF-alpha.

He MM, Smith AS, Oslob JD, Flanagan WM, Braisted AC, Whitty A, Cancilla MT, Wang J, Lugovskoy AA, Yoburn JC, Fung AD, Farrington G, Eldredge JK, Day ES, Cruz LA, Cachero TG, Miller SK, Friedman JE, Choong IC, Cunningham BC
Science 310 1022-5 (2005)
Cited: 352 times
EuropePMC logo PMID: 16284179

Abstract

We have identified a small-molecule inhibitor of tumor necrosis factor alpha (TNF-alpha) that promotes subunit disassembly of this trimeric cytokine family member. The compound inhibits TNF-alpha activity in biochemical and cell-based assays with median inhibitory concentrations of 22 and 4.6 micromolar, respectively. Formation of an intermediate complex between the compound and the intact trimer results in a 600-fold accelerated subunit dissociation rate that leads to trimer dissociation. A structure solved by x-ray crystallography reveals that a single compound molecule displaces a subunit of the trimer to form a complex with a dimer of TNF-alpha subunits.

Reviews - 2az5 mentioned but not cited (4)

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Articles - 2az5 mentioned but not cited (187)

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  44. Utilizing network pharmacology and molecular docking to explore the underlying mechanism of Guizhi Fuling Wan in treating endometriosis. Wang H, Zhou G, Zhuang M, Wang W, Fu X. PeerJ 9 e11087 (2021)
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  47. Cellular and Molecular Mechanisms and Effects of Berberine on Obesity-Induced Inflammation. Noh JW, Jun MS, Yang HK, Lee BC. Biomedicines 10 1739 (2022)
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  51. Identification of potential TNF-α inhibitors: from in silico to in vitro studies. Zia K, Ashraf S, Jabeen A, Saeed M, Nur-E-Alam M, Ahmed S, Al-Rehaily AJ, Ul-Haq Z. Sci Rep 10 20974 (2020)
  52. Molecular Docking Studies of Phytocompounds from the Phyllanthus Species as Potential Chronic Pain Modulators. Chopade AR, Sayyad FJ, Pore YV. Sci Pharm 83 243-267 (2015)
  53. Protective capacity of carotenoid trans-astaxanthin in rotenone-induced toxicity in Drosophila melanogaster. Akinade TC, Babatunde OO, Adedara AO, Adeyemi OE, Otenaike TA, Ashaolu OP, Johnson TO, Terriente-Felix A, Whitworth AJ, Abolaji AO. Sci Rep 12 4594 (2022)
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  55. Research on the Mechanism of Kaempferol for Treating Senile Osteoporosis by Network Pharmacology and Molecular Docking. Tang F, Zhang P, Zhao W, Zhu G, Shen G, Chen H, Yu X, Zhang Z, Shang Q, Liang, Jiang X, Ren H. Evid Based Complement Alternat Med 2022 6741995 (2022)
  56. In silico studies for the interaction of tumor necrosis factor-alpha (TNF-α) with different saponins from Vietnamese ginseng (Panax vietnamesis). Kim OT, Le MD, Trinh HX, Nong HV. Biophys Physicobiol 13 173-180 (2016)
  57. A computational multi-targeting approach for drug repositioning for psoriasis treatment. Ibezim A, Onah E, Dim EN, Ntie-Kang F. BMC Complement Med Ther 21 193 (2021)
  58. Anti-allergic activities of Umbelliferone against histamine- and Picryl chloride-induced ear edema by targeting Nrf2/iNOS signaling in mice. Younas, Khan A, Shehzad O, Seo EK, Onder A, Khan S. BMC Complement Med Ther 21 215 (2021)
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  61. Investigation of the Multi-Target Mechanism of Guanxin-Shutong Capsule in Cerebrovascular Diseases: A Systems Pharmacology and Experimental Assessment. Zhang J, Zhao J, Ma Y, Wang W, Huang S, Guo C, Wang K, Zhang X, Zhang W, Wen A, Shi M, Ding Y. Front Pharmacol 12 650770 (2021)
  62. Metabolic Profiling of Buddleia indica Leaves using LC/MS and Evidence of their Antioxidant and Hepatoprotective Activity Using Different In Vitro and In Vivo Experimental Models. Youssef FS, Ashour ML, El-Beshbishy HA, Singab ANB, Wink M. Antioxidants (Basel) 8 E412 (2019)
  63. Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation. Halim SA, Sikandari AG, Khan A, Wadood A, Fatmi MQ, Csuk R, Al-Harrasi A. Biomolecules 11 329 (2021)
  64. Virtual Prediction of the Delphinidin-3-O-glucoside and Peonidin-3-O-glucoside as Anti-inflammatory of TNF-α Signaling. Sari DRT, Cairns JRK, Safitri A, Fatchiyah F. Acta Inform Med 27 152-157 (2019)
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  66. In Silico Prediction of the Mode of Action of Viola odorata in Diabetes. Buabeid MA, Arafa EA, Hassan W, Murtaza G. Biomed Res Int 2020 2768403 (2020)
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  68. Anti-Arthritic and Anti-Inflammatory Potential of Spondias mangifera Extract Fractions: An In Silico, In Vitro and In Vivo Approach. Khalid M, Alqarni MH, Shoaib A, Arif M, Foudah AI, Afzal O, Ali A, Ali A, Alqahtani SS, Altamimi ASA. Plants (Basel) 10 825 (2021)
  69. Curcumin Suppresses Lead-Induced Inflammation and Memory Loss in Mouse Model and In Silico Molecular Docking. Changlek S, Rana MN, Phyu MP, Karim N, Majima HJ, Tangpong J. Foods 11 856 (2022)
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  73. Effect of topical marshmallow (Althaea officinalis) on atopic dermatitis in children: A pilot double-blind active-controlled clinical trial of an in-silico-analyzed phytomedicine. Naseri V, Chavoshzadeh Z, Mizani A, Daneshfard B, Ghaffari F, Abbas-Mohammadi M, Gachkar L, Kamalinejad M, Jafari Hajati R, Bahaeddin Z, Faghihzadeh S, Naseri M. Phytother Res 35 1389-1398 (2021)
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  93. Native Top-Down Mass Spectrometry Reveals a Role for Interfacial Glycans on Therapeutic Cytokine and Hormone Assemblies. Wu D, Robinson CV. Angew Chem Int Ed Engl 61 e202213170 (2022)
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  95. Synthesis and Biological Evaluation of Novel Pyrimidine Amine Derivatives Bearing Bicyclic Monoterpene Moieties. Zhang M, Wang Y, Wang S, Wu H. Molecules 27 8104 (2022)
  96. Synthesis and Biological Evaluation of Thalidomide Derivatives as Potential Anti-Psoriasis Agents. Tang KW, Lin ZC, Chen YL, Tzeng CC, Fang JY, Tseng CH. Int J Mol Sci 19 E3061 (2018)
  97. The Polyphenolic Profile and Antioxidant Activity of Five Vegetal Extracts with Hepatoprotective Potential. Costea L, Chițescu CL, Boscencu R, Ghica M, Lupuliasa D, Mihai DP, Deculescu-Ioniță T, Duțu LE, Popescu ML, Luță EA, Nițulescu GM, Olaru OT, Gîrd CE. Plants (Basel) 11 1680 (2022)
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