3lii › Citations

Acetylcholinesterase: from 3D structure to function.

Dvir H, Silman I, Harel M, Rosenberry TL, Sussman JL
Chem Biol Interact 187 10-22 (2010)
Cited: 222 times
EuropePMC logo PMID: 20138030

Abstract

By rapid hydrolysis of the neurotransmitter, acetylcholine, acetylcholinesterase terminates neurotransmission at cholinergic synapses. Acetylcholinesterase is a very fast enzyme, functioning at a rate approaching that of a diffusion-controlled reaction. The powerful toxicity of organophosphate poisons is attributed primarily to their potent inhibition of acetylcholinesterase. Acetylcholinesterase inhibitors are utilized in the treatment of various neurological disorders, and are the principal drugs approved thus far by the FDA for management of Alzheimer's disease. Many organophosphates and carbamates serve as potent insecticides, by selectively inhibiting insect acetylcholinesterase. The determination of the crystal structure of Torpedo californica acetylcholinesterase permitted visualization, for the first time, at atomic resolution, of a binding pocket for acetylcholine. It also allowed identification of the active site of acetylcholinesterase, which, unexpectedly, is located at the bottom of a deep gorge lined largely by aromatic residues. The crystal structure of recombinant human acetylcholinesterase in its apo-state is similar in its overall features to that of the Torpedo enzyme; however, the unique crystal packing reveals a novel peptide sequence which blocks access to the active-site gorge.

Reviews - 3lii mentioned but not cited (1)

  1. Cryo-electron microscopy of cholinesterases, present and future. Leung MR, Zeev-Ben-Mordehai T. J Neurochem 158 1236-1243 (2021)

Articles - 3lii mentioned but not cited (22)

  1. Acetylcholinesterase: from 3D structure to function. Dvir H, Silman I, Harel M, Rosenberry TL, Sussman JL. Chem Biol Interact 187 10-22 (2010)
  2. Refinement of structural leads for centrally acting oxime reactivators of phosphylated cholinesterases. Radić Z, Sit RK, Kovarik Z, Berend S, Garcia E, Zhang L, Amitai G, Green C, Radić B, Fokin VV, Sharpless KB, Taylor P. J Biol Chem 287 11798-11809 (2012)
  3. Oxime-assisted acetylcholinesterase catalytic scavengers of organophosphates that resist aging. Cochran R, Kalisiak J, Küçükkilinç T, Radic Z, Garcia E, Zhang L, Ho KY, Amitai G, Kovarik Z, Fokin VV, Sharpless KB, Taylor P. J Biol Chem 286 29718-29724 (2011)
  4. Biochemical identification and crystal structure of kynurenine formamidase from Drosophila melanogaster. Han Q, Robinson H, Li J. Biochem J 446 253-260 (2012)
  5. Virtual screening of acetylcholinesterase inhibitors using the Lipinski's rule of five and ZINC databank. Nogara PA, Saraiva Rde A, Caeran Bueno D, Lissner LJ, Lenz Dalla Corte C, Braga MM, Rosemberg DB, Rocha JB. Biomed Res Int 2015 870389 (2015)
  6. Computational interaction analysis of organophosphorus pesticides with different metabolic proteins in humans. Sharma AK, Gaur K, Tiwari RK, Gaur MS. J Biomed Res 25 335-347 (2011)
  7. Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly. Leung MR, van Bezouwen LS, Schopfer LM, Sussman JL, Silman I, Lockridge O, Zeev-Ben-Mordehai T. Proc Natl Acad Sci U S A 115 13270-13275 (2018)
  8. Identification of new allosteric sites and modulators of AChE through computational and experimental tools. Roca C, Requena C, Sebastián-Pérez V, Malhotra S, Radoux C, Pérez C, Martinez A, Antonio Páez J, Blundell TL, Campillo NE. J Enzyme Inhib Med Chem 33 1034-1047 (2018)
  9. Inhibition of Acetylcholinesterase and Butyrylcholinesterase by a Plant Secondary Metabolite Boldine. Kostelnik A, Pohanka M. Biomed Res Int 2018 9634349 (2018)
  10. Metal based donepezil analogues designed to inhibit human acetylcholinesterase for Alzheimer's disease. Junaid M, Islam N, Hossain MK, Ullah MO, Halim MA. PLoS One 14 e0211935 (2019)
  11. Interaction of prion protein with acetylcholinesterase: potential pathobiological implications in prion diseases. Torrent J, Vilchez-Acosta A, Muñoz-Torrero D, Trovaslet M, Nachon F, Chatonnet A, Grznarova K, Acquatella-Tran Van Ba I, Le Goffic R, Herzog L, Béringue V, Rezaei H. Acta Neuropathol Commun 3 18 (2015)
  12. Biocomputational Screening of Natural Compounds against Acetylcholinesterase. Ahmad SS, Khan MB, Ahmad K, Lim JH, Shaikh S, Lee EJ, Choi I. Molecules 26 2641 (2021)
  13. Altering the Solubility of the Antibiotic Candidate Nisin-A Computational Study. Pandey P, Hansmann UHE, Wang F. ACS Omega 5 24854-24863 (2020)
  14. Identification of bioactive peptides from a Brazilian kefir sample, and their anti-Alzheimer potential in Drosophila melanogaster. Malta SM, Batista LL, Silva HCG, Franco RR, Silva MH, Rodrigues TS, Correia LIV, Martins MM, Venturini G, Espindola FS, da Silva MV, Ueira-Vieira C. Sci Rep 12 11065 (2022)
  15. Mass spectrometry method to identify aging pathways of Sp- and Rp-tabun adducts on human butyrylcholinesterase based on the acid labile P-N bond. Jiang W, Cashman JR, Nachon F, Masson P, Schopfer LM, Lockridge O. Toxicol Sci 132 390-398 (2013)
  16. In Silico Molecular Docking Analysis of Potential Anti-Alzheimer's Compounds Present in Chloroform Extract of Carissa carandas Leaf Using Gas Chromatography MS/MS. Kareti SR, Pharm SM. Curr Ther Res Clin Exp 93 100615 (2020)
  17. Computational enzymology for degradation of chemical warfare agents: promising technologies for remediation processes. de Castro AA, Assis LC, Silva DR, Corrêa S, Assis TM, Gajo GC, Soares FV, Ramalho TC. AIMS Microbiol 3 108-135 (2017)
  18. In Silico Study of the Resistance to Organophosphorus Pesticides Associated with Point Mutations in Acetylcholinesterase of Lepidoptera: B. mandarina, B. mori, C. auricilius, C. suppressalis, C. pomonella, H. armígera, P. xylostella, S. frugiperda, and S. litura. Reyes-Espinosa F, Méndez-Álvarez D, Pérez-Rodríguez MA, Herrera-Mayorga V, Juárez-Saldivar A, Cruz-Hernández MA, Rivera G. Int J Mol Sci 20 E2404 (2019)
  19. Strychnos alkaloids: total synthesis, characterization, DFT investigations, and molecular docking with AChE, BuChE, and HSA. Uludag N, Üstün E, Serdaroğlu G. Heliyon 8 e11990 (2022)
  20. A general method for directly phasing diffraction data from high-solvent-content protein crystals. Kingston RL, Millane RP. IUCrJ 9 648-665 (2022)
  21. CARDIO-PRED: an in silico tool for predicting cardiovascular-disorder associated proteins. Jain P, Thukral N, Gahlot LK, Hasija Y. Syst Synth Biol 9 55-66 (2015)
  22. Chemo- and bio-informatics insight into anti-cholinesterase potentials of berries and leaves of Myrtus communis L., Myrtaceae: an in vitro/in silico study. Hussein BA, Karimi I, Yousofvand N. BMC Complement Med Ther 23 421 (2023)


Reviews citing this publication (31)

  1. Naturally Occurring Acetylcholinesterase Inhibitors and Their Potential Use for Alzheimer's Disease Therapy. Dos Santos TC, Gomes TM, Pinto BAS, Camara AL, Paes AMA. Front Pharmacol 9 1192 (2018)
  2. Recent progress in the identification of selective butyrylcholinesterase inhibitors for Alzheimer's disease. Li Q, Yang H, Chen Y, Sun H. Eur J Med Chem 132 294-309 (2017)
  3. Thyroglobulin From Molecular and Cellular Biology to Clinical Endocrinology. Di Jeso B, Arvan P. Endocr Rev 37 2-36 (2016)
  4. Alzheimer's Disease as a Membrane Disorder: Spatial Cross-Talk Among Beta-Amyloid Peptides, Nicotinic Acetylcholine Receptors and Lipid Rafts. Fabiani C, Antollini SS. Front Cell Neurosci 13 309 (2019)
  5. Carboxylesterase inhibitors. Hatfield MJ, Potter PM. Expert Opin Ther Pat 21 1159-1171 (2011)
  6. Anticholinesterase insecticide retrospective. Casida JE, Durkin KA. Chem Biol Interact 203 221-225 (2013)
  7. Acute organophosphorus poisoning. Chowdhary S, Bhattacharyya R, Banerjee D. Clin Chim Acta 431 66-76 (2014)
  8. Chalcone and its analogs: Therapeutic and diagnostic applications in Alzheimer's disease. Thapa P, Upadhyay SP, Suo WZ, Singh V, Gurung P, Lee ES, Sharma R, Sharma M. Bioorg Chem 108 104681 (2021)
  9. Novel multitarget-directed tacrine derivatives as potential candidates for the treatment of Alzheimer's disease. Wu WY, Dai YC, Li NG, Dong ZX, Gu T, Shi ZH, Xue X, Tang YP, Duan JA. J Enzyme Inhib Med Chem 32 572-587 (2017)
  10. Biosensors and their applications in detection of organophosphorus pesticides in the environment. Hassani S, Momtaz S, Vakhshiteh F, Maghsoudi AS, Ganjali MR, Norouzi P, Abdollahi M. Arch Toxicol 91 109-130 (2017)
  11. Acetylcholinesterase Inhibitory Potential of Various Sesquiterpene Analogues for Alzheimer's Disease Therapy. Arya A, Chahal R, Rao R, Rahman MH, Kaushik D, Akhtar MF, Akhtar MF, Saleem A, Khalifa SMA, El-Seedi HR, Kamel M, Albadrani GM, Abdel-Daim MM, Mittal V. Biomolecules 11 350 (2021)
  12. Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase. Franjesevic AJ, Sillart SB, Beck JM, Vyas S, Callam CS, Hadad CM. Chemistry 25 5337-5371 (2019)
  13. Multiple binding sites in the nicotinic acetylcholine receptors: An opportunity for polypharmacolgy. Iturriaga-Vásquez P, Alzate-Morales J, Bermudez I, Varas R, Reyes-Parada M. Pharmacol Res 101 9-17 (2015)
  14. A Comprehensive Review of Cholinesterase Modeling and Simulation. De Boer D, Nguyen N, Mao J, Moore J, Sorin EJ. Biomolecules 11 580 (2021)
  15. Merged Tacrine-Based, Multitarget-Directed Acetylcholinesterase Inhibitors 2015-Present: Synthesis and Biological Activity. Eckroat TJ, Manross DL, Cowan SC. Int J Mol Sci 21 E5965 (2020)
  16. From Protein Features to Sensing Surfaces. Faccio G. Sensors (Basel) 18 E1204 (2018)
  17. Medicinal plants with acetylcholinesterase inhibitory activity. Patel SS, Raghuwanshi R, Masood M, Acharya A, Jain SK. Rev Neurosci 29 491-529 (2018)
  18. Recent Developments in New Therapeutic Agents against Alzheimer and Parkinson Diseases: In-Silico Approaches. Cruz-Vicente P, Passarinha LA, Silvestre S, Gallardo E. Molecules 26 2193 (2021)
  19. Non-neuronal Role of Acetylcholinesterase in Bone Development and Degeneration. Luo X, Lauwers M, Layer PG, Wen C. Front Cell Dev Biol 8 620543 (2020)
  20. Acetylcholinesterase: The "Hub" for Neurodegenerative Diseases and Chemical Weapons Convention. Cavalcante SFA, Simas ABC, Barcellos MC, de Oliveira VGM, Sousa RB, Cabral PAM, Kuča K, França TCC. Biomolecules 10 E414 (2020)
  21. Recent developments in structural studies on acetylcholinesterase. Silman I, Sussman JL. J Neurochem 142 Suppl 2 19-25 (2017)
  22. Erythrocyte acetylcholinesterase as biomarker of pesticide exposure: new and forgotten insights. Assis CRD, Linhares AG, Cabrera MP, Oliveira VM, Silva KCC, Marcuschi M, Maciel Carvalho EVM, Bezerra RS, Carvalho LB. Environ Sci Pollut Res Int 25 18364-18376 (2018)
  23. Molecular Recognition of Nerve Agents and Their Organophosphorus Surrogates: Toward Supramolecular Scavengers and Catalysts. Finnegan TJ, Gunawardana VWL, Badjić JD. Chemistry 27 13280-13305 (2021)
  24. Autoregulation of Acetylcholine Release and Micro-Pharmacodynamic Mechanisms at Neuromuscular Junction: Selective Acetylcholinesterase Inhibitors for Therapy of Myasthenic Syndromes. Petrov KA, Nikolsky EE, Masson P. Front Pharmacol 9 766 (2018)
  25. Human carboxylesterases and fluorescent probes to image their activity in live cells. Singh A, Gao M, Beck MW. RSC Med Chem 12 1142-1153 (2021)
  26. Structural Modifications on Chalcone Framework for Developing New Class of Cholinesterase Inhibitors. George G, Koyiparambath VP, Sukumaran S, Nair AS, Pappachan LK, Al-Sehemi AG, Kim H, Mathew B. Int J Mol Sci 23 3121 (2022)
  27. An overview on the synthesis of carbohydrate-based molecules with biological activity related to neurodegenerative diseases. Lopes JPB, Silva L, Lüdtke DS. RSC Med Chem 12 2001-2015 (2021)
  28. Clustered Regularly Interspaced Short Palindromic Repeats/ CRISPR associated protein 9-mediated editing of Schistosoma mansoni genes: Identifying genes for immunologically potent drug and vaccine development. Naidoo P, Mkhize-Kwitshana ZL. Rev Soc Bras Med Trop 55 e0131 (2022)
  29. Plectranthus ecklonii Benth: A Comprehensive Review Into its Phytochemistry and Exerted Biological Activities. Antão AR, Bangay G, Domínguez-Martín EM, Díaz-Lanza AM, Ríjo P. Front Pharmacol 12 768268 (2021)
  30. What do we currently know about Novichoks? The state of the art. Noga M, Jurowski K. Arch Toxicol 97 651-661 (2023)
  31. Antidotes in Clinical Toxicology-Critical Review. Kobylarz D, Noga M, Frydrych A, Milan J, Morawiec A, Glaca A, Kucab E, Jastrzębska J, Jabłońska K, Łuc K, Zdeb G, Pasierb J, Toporowska-Kaźmierak J, Półchłopek S, Słoma P, Adamik M, Banasik M, Bartoszek M, Adamczyk A, Rędziniak P, Frączkiewicz P, Orczyk M, Orzechowska M, Tajchman P, Dziuba K, Pelczar R, Zima S, Nyankovska Y, Sowińska M, Pempuś W, Kubacka M, Popielska J, Brzezicki P, Jurowski K. Toxics 11 723 (2023)

Articles citing this publication (168)

  1. Human butyrylcholinesterase produced in insect cells: huprine-based affinity purification and crystal structure. Brazzolotto X, Wandhammer M, Ronco C, Ronco C, Trovaslet M, Jean L, Lockridge O, Renard PY, Nachon F. FEBS J 279 2905-2916 (2012)
  2. Neuroligin-1 induces neurite outgrowth through interaction with neurexin-1β and activation of fibroblast growth factor receptor-1. Gjørlund MD, Nielsen J, Pankratova S, Li S, Korshunova I, Bock E, Berezin V. FASEB J 26 4174-4186 (2012)
  3. A highly stable acetylcholinesterase biosensor based on chitosan-TiO2-graphene nanocomposites for detection of organophosphate pesticides. Cui HF, Wu WW, Li MM, Song X, Lv Y, Zhang TT. Biosens Bioelectron 99 223-229 (2018)
  4. Reactibodies generated by kinetic selection couple chemical reactivity with favorable protein dynamics. Smirnov I, Carletti E, Kurkova I, Nachon F, Nicolet Y, Mitkevich VA, Débat H, Avalle B, Belogurov AA, Kuznetsov N, Reshetnyak A, Masson P, Tonevitsky AG, Ponomarenko N, Makarov AA, Friboulet A, Tramontano A, Gabibov A. Proc Natl Acad Sci U S A 108 15954-15959 (2011)
  5. Novel tacrine-1,2,3-triazole hybrids: In vitro, in vivo biological evaluation and docking study of cholinesterase inhibitors. Najafi Z, Mahdavi M, Mahdavi M, Saeedi M, Karimpour-Razkenari E, Asatouri R, Vafadarnejad F, Moghadam FH, Khanavi M, Sharifzadeh M, Akbarzadeh T. Eur J Med Chem 125 1200-1212 (2017)
  6. An insight into the sialotranscriptome of Triatoma matogrossensis, a kissing bug associated with fogo selvagem in South America. Assumpção TC, Eaton DP, Pham VM, Francischetti IM, Aoki V, Hans-Filho G, Rivitti EA, Valenzuela JG, Diaz LA, Ribeiro JM. Am J Trop Med Hyg 86 1005-1014 (2012)
  7. Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking. Simeon S, Anuwongcharoen N, Shoombuatong W, Malik AA, Prachayasittikul V, Wikberg JES, Nantasenamat C. PeerJ 4 e2322 (2016)
  8. Syntheses of coumarin-tacrine hybrids as dual-site acetylcholinesterase inhibitors and their activity against butylcholinesterase, Aβ aggregation, and β-secretase. Sun Q, Peng DY, Yang SG, Zhu XL, Yang WC, Yang GF. Bioorg Med Chem 22 4784-4791 (2014)
  9. Design, synthesis, and bioevaluation of benzamides: novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Aβ aggregation, and β-secretase. Peng DY, Sun Q, Zhu XL, Lin HY, Chen Q, Yu NX, Yang WC, Yang GF. Bioorg Med Chem 20 6739-6750 (2012)
  10. Enzyme-Operated DNA-Based Nanodevices. Del Grosso E, Dallaire AM, Vallée-Bélisle A, Ricci F. Nano Lett 15 8407-8411 (2015)
  11. Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance. Cheung J, Mahmood A, Kalathur R, Liu L, Carlier PR. Structure 26 130-136.e2 (2018)
  12. The Repellent DEET Potentiates Carbamate Effects via Insect Muscarinic Receptor Interactions: An Alternative Strategy to Control Insect Vector-Borne Diseases. Abd-Ella A, Stankiewicz M, Mikulska K, Nowak W, Pennetier C, Goulu M, Fruchart-Gaillard C, Licznar P, Apaire-Marchais V, List O, Corbel V, Servent D, Lapied B. PLoS One 10 e0126406 (2015)
  13. The immunomodulation of acetylcholinesterase in zhikong scallop Chlamys farreri. Shi X, Zhou Z, Wang L, Yue F, Wang M, Yang C, Song L. PLoS One 7 e30828 (2012)
  14. Fundamental reaction pathway and free energy profile for butyrylcholinesterase-catalyzed hydrolysis of heroin. Qiao Y, Han K, Zhan CG. Biochemistry 52 6467-6479 (2013)
  15. Molecular dynamics of β-hairpin models of epigenetic recognition motifs. Zheng X, Wu C, Ponder JW, Marshall GR. J Am Chem Soc 134 15970-15978 (2012)
  16. 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies. Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D. Eur J Med Chem 73 141-152 (2014)
  17. New tacrine dimers with antioxidant linkers as dual drugs: Anti-Alzheimer's and antiproliferative agents. Roldán-Peña JM, Alejandre-Ramos D, López Ó, Maya I, Lagunes I, Padrón JM, Padrón JM, Peña-Altamira LE, Bartolini M, Monti B, Bolognesi ML, Fernández-Bolaños JG. Eur J Med Chem 138 761-773 (2017)
  18. AChE and RACK1 promote the anti-inflammatory properties of fluoxetine. Waiskopf N, Ofek K, Gilboa-Geffen A, Bekenstein U, Bahat A, Bennett ER, Podoly E, Livnah O, Hartmann G, Soreq H. J Mol Neurosci 53 306-315 (2014)
  19. Development of a novel zebrafish xenograft model in ache mutants using liver cancer cell lines. Avci ME, Keskus AG, Targen S, Isilak ME, Ozturk M, Atalay RC, Adams MM, Konu O. Sci Rep 8 1570 (2018)
  20. Pressure-induced molten globule state of human acetylcholinesterase: structural and dynamical changes monitored by neutron scattering. Marion J, Trovaslet M, Martinez N, Masson P, Schweins R, Nachon F, Trapp M, Peters J. Phys Chem Chem Phys 17 3157-3163 (2015)
  21. Alkaloids of Amaryllidaceae as Inhibitors of Cholinesterases (AChEs and BChEs): An Integrated Bioguided Study. Cortes N, Sierra K, Alzate F, Osorio EH, Osorio E. Phytochem Anal 29 217-227 (2018)
  22. Discovery of Potent Dual Binding Site Acetylcholinesterase Inhibitors via Homo- and Heterodimerization of Coumarin-Based Moieties. Pisani L, Catto M, De Palma A, Farina R, Cellamare S, Altomare CD. ChemMedChem 12 1349-1358 (2017)
  23. Human PLD structures enable drug design and characterization of isoenzyme selectivity. Metrick CM, Peterson EA, Santoro JC, Enyedy IJ, Murugan P, Chen T, Michelsen K, Cullivan M, Spilker KA, Kumar PR, May-Dracka TL, Chodaparambil JV. Nat Chem Biol 16 391-399 (2020)
  24. Identification and Expression of Acetylcholinesterase in Octopus vulgaris Arm Development and Regeneration: a Conserved Role for ACHE? Fossati SM, Candiani S, Nödl MT, Maragliano L, Pennuto M, Domingues P, Benfenati F, Pestarino M, Zullo L. Mol Neurobiol 52 45-56 (2015)
  25. Novel tacrine-benzofuran hybrids as potential multi-target drug candidates for the treatment of Alzheimer's Disease. Fancellu G, Chand K, Tomás D, Orlandini E, Piemontese L, Silva DF, Cardoso SM, Chaves S, Santos MA. J Enzyme Inhib Med Chem 35 211-226 (2020)
  26. (-)-Epicatechin derivate from Orostachys japonicus as potential inhibitor of the human butyrylcholinesterase. Kim JH, Lee SH, Lee HW, Sun YN, Jang WH, Yang SY, Jang HD, Kim YH. Int J Biol Macromol 91 1033-1039 (2016)
  27. A novel role for synaptic acetylcholinesterase as an apoptotic deoxyribonuclease. Du A, Xie J, Guo K, Yang L, Wan Y, OuYang Q, Zhang X, Niu X, Lu L, Wu J, Zhang X. Cell Discov 1 15002 (2015)
  28. Activity and molecular dynamics relationship within the family of human cholinesterases. Peters J, Trovaslet M, Trapp M, Nachon F, Hill F, Royer E, Gabel F, van Eijck L, Masson P, Tehei M. Phys Chem Chem Phys 14 6764-6770 (2012)
  29. First principles calculations of thermodynamics and kinetic parameters and molecular dynamics simulations of acetylcholinesterase reactivators: can mouse data provide new insights into humans? Matos KS, da Cunha EF, da Silva Gonçalves A, Wilter A, Kuča K, França TC, Ramalho TC. J Biomol Struct Dyn 30 546-558 (2012)
  30. Massive expansion and diversity of nicotinic acetylcholine receptors in lophotrochozoans. Jiao Y, Cao Y, Zheng Z, Liu M, Guo X. BMC Genomics 20 937 (2019)
  31. Organoruthenium Prodrugs as a New Class of Cholinesterase and Glutathione-S-Transferase Inhibitors. Ristovski S, Uzelac M, Kljun J, Lipec T, Uršič M, Zemljič Jokhadar Š, Žužek MC, Trobec T, Frangež R, Sepčić K, Turel I. ChemMedChem 13 2166-2176 (2018)
  32. Atomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation. Mohammadi T, Ghayeb Y. J Biomol Struct Dyn 36 126-138 (2018)
  33. Design and synthesis of N-substituted-2-hydroxyiminoacetamides and interactions with cholinesterases. Maraković N, Knežević A, Vinković V, Kovarik Z, Šinko G. Chem Biol Interact 259 122-132 (2016)
  34. Limiting assumptions in molecular modeling: electrostatics. Marshall GR. J Comput Aided Mol Des 27 107-114 (2013)
  35. Molecular recognition of rosmarinic acid from Salvia sclareoides extracts by acetylcholinesterase: a new binding site detected by NMR spectroscopy. Marcelo F, Dias C, Martins A, Madeira PJ, Jorge T, Florêncio MH, Cañada FJ, Cabrita EJ, Jiménez-Barbero J, Rauter AP. Chemistry 19 6641-6649 (2013)
  36. Synthesis of novel vanillin derivatives: novel multi-targeted scaffold ligands against Alzheimer's disease. Scipioni M, Kay G, Megson IL, Kong Thoo Lin P. Medchemcomm 10 764-777 (2019)
  37. The amyloid precursor protein represses expression of acetylcholinesterase in neuronal cell lines. Hicks DA, Makova NZ, Gough M, Parkin ET, Nalivaeva NN, Turner AJ. J Biol Chem 288 26039-26051 (2013)
  38. The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex. Dym O, Song W, Felder C, Roth E, Shnyrov V, Ashani Y, Xu Y, Joosten RP, Weiner L, Sussman JL, Silman I. Protein Sci 25 1096-1114 (2016)
  39. Acetylcholinesterase activity of electric eel is increased or decreased by selected monoterpenoids and phenylpropanoids in a concentration-dependent manner. López MD, Campoy FJ, Pascual-Villalobos MJ, Muñoz-Delgado E, Vidal CJ. Chem Biol Interact 229 36-43 (2015)
  40. Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors. Basiri A, Xiao M, McCarthy A, Dutta D, Byrareddy SN, Conda-Sheridan M. Bioorg Med Chem Lett 27 228-231 (2017)
  41. Glutathione regulation-based dual-functional upconversion sensing-platform for acetylcholinesterase activity and cadmium ions. Fang A, Chen H, Li H, Liu M, Zhang Y, Yao S. Biosens Bioelectron 87 545-551 (2017)
  42. Potential acetylcholinesterase inhibitors: molecular docking, molecular dynamics, and in silico prediction. Kiametis AS, Silva MA, Romeiro LA, Martins JB, Gargano R. J Mol Model 23 67 (2017)
  43. Salvia officinalis L. from Italy: A Comparative Chemical and Biological Study of Its Essential Oil in the Mediterranean Context. Tundis R, Leporini M, Bonesi M, Rovito S, Passalacqua NG. Molecules 25 E5826 (2020)
  44. Synthesis of some new 3-coumaranone and coumarin derivatives as dual inhibitors of acetyl- and butyrylcholinesterase. Alipour M, Khoobi M, Nadri H, Sakhteman A, Moradi A, Ghandi M, Foroumadi A, Shafiee A. Arch Pharm (Weinheim) 346 577-587 (2013)
  45. Time-dependent kinetic complexities in cholinesterase-catalyzed reactions. Masson P. Biochemistry (Mosc) 77 1147-1161 (2012)
  46. Amino acid substitutions of acetylcholinesterase associated with carbofuran resistance in Chilo suppressalis. Chang C, Cheng X, Huang XY, Dai SM. Pest Manag Sci 70 1930-1935 (2014)
  47. Anti-Parkinson's Activity of Tribulus terrestris via Modulation of AChE, α-Synuclein, TNF-α, and IL-1β. Saleem U, Chauhdary Z, Raza Z, Shah S, Rahman MU, Zaib P, Ahmad B. ACS Omega 5 25216-25227 (2020)
  48. Characterisation of acetylcholinesterase release from neuronal cells. Hicks DA, Makova NZ, Nalivaeva NN, Turner AJ. Chem Biol Interact 203 302-308 (2013)
  49. Letter Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae. Han Q, Wong DM, Robinson H, Ding H, Lam PCH, Totrov MM, Carlier PR, Li J. Insect Sci 25 721-724 (2018)
  50. In silico analysis of binding of neurotoxic venom ligands with acetylcholinesterase for therapeutic use in treatment of Alzheimer's disease. Waqar M, Batool S. J Theor Biol 372 107-117 (2015)
  51. Microwave assisted synthesis of novel hybrid tacrine-sulfonamide derivatives and investigation of their antioxidant and anticholinesterase activities. Ulus R, Zengin Kurt B, Gazioğlu I, Kaya M. Bioorg Chem 70 245-255 (2017)
  52. Selenoureido-iminosugars: A new family of multitarget drugs. Olsen JI, Plata GB, Padrón JM, Padrón JM, López Ó, Bols M, Fernández-Bolaños JG. Eur J Med Chem 123 155-160 (2016)
  53. Synthesis and acetylcholinesterase inhibitory activity of polyhydroxylated sulfated steroids: structure/activity studies. Richmond V, Murray AP, Maier MS. Steroids 78 1141-1147 (2013)
  54. Tacrine-(hydroxybenzoyl-pyridone) hybrids as potential multifunctional anti-Alzheimer's agents: AChE inhibition, antioxidant activity and metal chelating capacity. Chand K, Alsoghier HM, Chaves S, Santos MA. J Inorg Biochem 163 266-277 (2016)
  55. Toxicity and Antitumor Activity of a Thiophene-Acridine Hybrid. Lisboa T, Silva D, Duarte S, Ferreira R, Andrade C, Lopes AL, Ribeiro J, Farias D, Moura R, Reis M, Medeiros K, Magalhães H, Sobral M. Molecules 25 E64 (2019)
  56. Antiparkinsonian activity of Cucurbita pepo seeds along with possible underlying mechanism. Saleem U, Shehzad A, Shah S, Raza Z, Shah MA, Bibi S, Chauhdary Z, Ahmad B. Metab Brain Dis 36 1231-1251 (2021)
  57. Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors. Shiri F, Pirhadi S, Ghasemi JB. J Biomol Struct Dyn 37 1800-1812 (2019)
  58. Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. Gerlits O, Kong X, Cheng X, Wymore T, Blumenthal DK, Taylor P, Radić Z, Kovalevsky A. J Biol Chem 294 10607-10618 (2019)
  59. Structure-Antifouling Activity Relationship and Molecular Targets of Bio-Inspired(thio)xanthones. Almeida JR, Palmeira A, Campos A, Cunha I, Freitas M, Felpeto AB, Turkina MV, Vasconcelos V, Pinto M, Correia-da-Silva M, Sousa E. Biomolecules 10 E1126 (2020)
  60. Study of the interaction of Huperzia saururus Lycopodium alkaloids with the acetylcholinesterase enzyme. Puiatti M, Borioni JL, Vallejo MG, Cabrera JL, Agnese AM, Ortega MG, Pierini AB. J Mol Graph Model 44 136-144 (2013)
  61. Unbinding free energy of acetylcholinesterase bound oxime drugs along the gorge pathway from metadynamics-umbrella sampling investigation. Pathak AK, Bandyopadhyay T. Proteins 82 1799-1818 (2014)
  62. Understanding the conformational flexibility and electrostatic properties of curcumin in the active site of rhAChE via molecular docking, molecular dynamics, and charge density analysis. Saravanan K, Kalaiarasi C, Kumaradhas P. J Biomol Struct Dyn 35 3627-3647 (2017)
  63. Perspectives for the structure-based design of acetylcholinesterase reactivators. Ochoa R, Rodriguez CA, Zuluaga AF. J Mol Graph Model 68 176-183 (2016)
  64. Poisson-Boltzmann continuum-solvation models: applications to pH-dependent properties of biomolecules. Antosiewicz JM, Shugar D. Mol Biosyst 7 2923-2949 (2011)
  65. Potential Anti-Acetylcholinesterase Activity of Cassia timorensis DC. Azman NAN, Alhawarri MB, Rawa MSA, Dianita R, Gazzali AM, Nogawa T, Wahab HA. Molecules 25 E4545 (2020)
  66. Relation between dynamics, activity and thermal stability within the cholinesterase family. Trovaslet M, Trapp M, Weik M, Nachon F, Masson P, Tehei M, Peters J. Chem Biol Interact 203 14-18 (2013)
  67. Simulated annealing molecular dynamics and ligand-receptor contacts analysis for pharmacophore modeling. Hatmal MM, Taha MO. Future Med Chem 9 1141-1159 (2017)
  68. TMPyP4, a Stabilizer of Nucleic Acid Secondary Structure, Is a Novel Acetylcholinesterase Inhibitor. Fujiwara N, Mazzola M, Cai E, Wang M, Cave JW. PLoS One 10 e0139167 (2015)
  69. A Preliminary Assessment of the Nutraceutical Potential of Acai Berry (Euterpe sp.) as a Potential Natural Treatment for Alzheimer's Disease. ALNasser MN, Mellor IR, Carter WG. Molecules 27 4891 (2022)
  70. Chemical constituents antioxidant and anticholinesterasic activity of Tabernaemontana catharinensis. Nicola C, Salvador M, Gower AE, Moura S, Echeverrigaray S. ScientificWorldJournal 2013 519858 (2013)
  71. Correlation of the dynamics of native human acetylcholinesterase and its inhibited huperzine A counterpart from sub-picoseconds to nanoseconds. Trapp M, Tehei M, Trovaslet M, Nachon F, Martinez N, Koza MM, Weik M, Masson P, Peters J. J R Soc Interface 11 20140372 (2014)
  72. In Silico Design of Dual-Binding Site Anti-Cholinesterase Phytochemical Heterodimers as Treatment Options for Alzheimer's Disease. Amat-Ur-Rasool H, Ahmed M, Hasnain S, Ahmed A, Carter WG. Curr Issues Mol Biol 44 152-175 (2021)
  73. In Vitro Evaluation of Neutral Aryloximes as Reactivators for Electrophorus eel Acetylcholinesterase Inhibited by Paraoxon. Kitagawa DAS, Cavalcante SFA, de Paula RL, Rodrigues RB, Bernardo LB, da Silva MCJ, da Silva TN, Dos Santos WV, Granjeiro JM, de Almeida JSFD, Barcellos MC, de A Correa AB, França TCC, Kuča K, Simas ABC. Biomolecules 9 E583 (2019)
  74. NMR determination of Electrophorus electricus acetylcholinesterase inhibition and reactivation by neutral oximes. da Cunha Xavier Soares SF, Vieira AA, Delfino RT, Figueroa-Villar JD. Bioorg Med Chem 21 5923-5930 (2013)
  75. Neurotoxicity Assessment of Four Different Pesticides Using In Vitro Enzymatic Inhibition Assays. Martins-Gomes C, Coutinho TE, Silva TL, Andreani T, Silva AM. Toxics 10 448 (2022)
  76. Phenoxyethyl Piperidine/Morpholine Derivatives as PAS and CAS Inhibitors of Cholinesterases: Insights for Future Drug Design. Pourshojaei Y, Abiri A, Eskandari K, Haghighijoo Z, Edraki N, Asadipour A. Sci Rep 9 19855 (2019)
  77. Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling. Lopes JPB, Silva L, Ceschi MA, Lüdtke DS, Zimmer AR, Ruaro TC, Dantas RF, de Salles CMC, Silva-Jr FP, Senger MR, Barbosa G, Lima LM, Guedes IA, Dardenne LE. Medchemcomm 10 2089-2101 (2019)
  78. Synthesis, Biological Evaluation, and In Silico Studies of New Acetylcholinesterase Inhibitors Based on Quinoxaline Scaffold. Suwanhom P, Saetang J, Khongkow P, Nualnoi T, Tipmanee V, Lomlim L. Molecules 26 4895 (2021)
  79. Alkaloids of Abuta panurensis Eichler: In silico and in vitro study of acetylcholinesterase inhibition, cytotoxic and immunomodulatory activities. da Silva Mesquita R, Kyrylchuk A, Costa de Oliveira R, Costa Sá IS, Coutinho Borges Camargo G, Soares Pontes G, Moura Araújo da Silva F, Saraiva Nunomura RC, Grafov A. PLoS One 15 e0239364 (2020)
  80. Chemical and Pharmacological Screening of Rhinella icterica (Spix 1824) Toad Parotoid Secretion in Avian Preparations. Oliveira RS, Borges BT, Leal AP, Lailowski MM, Bordon KCF, Souza VQ, Vinadé L, Santos TGD, Hyslop S, Moura S, Arantes EC, Corrado AP, Dal Belo CA. Toxins (Basel) 12 E396 (2020)
  81. Comparative biophysical characterization: A screening tool for acetylcholinesterase inhibitors. Patil DN, Patil SA, Sistla S, Jadhav JP. PLoS One 14 e0215291 (2019)
  82. Flow-through enzyme immobilized amperometric detector for the rapid screening of acetylcholinesterase inhibitors by flow injection analysis. Vandeput M, Parsajoo C, Vanheuverzwijn J, Patris S, Yardim Y, le Jeune A, Sarakbi A, Mertens D, Kauffmann JM. J Pharm Biomed Anal 102 267-275 (2015)
  83. Hydroxybenzoic Acids as Acetylcholinesterase Inhibitors: Calorimetric and Docking Simulation Studies. Budryn G, Majak I, Grzelczyk J, Szwajgier D, Rodríguez-Martínez A, Pérez-Sánchez H. Nutrients 14 2476 (2022)
  84. Molecular docking of different inhibitors and activators to butyrylcholinesterase. Chiou SY, Weng TT, Lin GZ, Lu RJ, Jian SY, Lin G. J Biomol Struct Dyn 33 563-572 (2015)
  85. Novel cholinesterase paralogs of Schistosoma mansoni have perceived roles in cholinergic signalling and drug detoxification and are essential for parasite survival. Tedla BA, Sotillo J, Pickering D, Eichenberger RM, Ryan S, Becker L, Loukas A, Pearson MS. PLoS Pathog 15 e1008213 (2019)
  86. Quantifying ligand-receptor interactions for gorge-spanning acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Martis EA, Chandarana RC, Shaikh MS, Ambre PK, D'Souza JS, Iyer KR, Coutinho EC, Nandan SR, Pissurlenkar RR. J Biomol Struct Dyn 33 1107-1125 (2015)
  87. Single-particle enumeration-based ultrasensitive enzyme activity quantification with fluorescent polymer nanoparticles. Han Y, Ye Z, Wang F, Chen T, Wei L, Chen L, Xiao L. Nanoscale 11 14793-14801 (2019)
  88. Synthesis and Evaluation of Anti-acetylcholinesterase Activity of 2-(2-(4-(2-Oxo-2-phenylethyl)piperazin-1-yl) ethyl)Isoindoline-1,3-dione Derivatives with Potential Anti-Alzheimer Effects. Aliabadi A, Foroumadi A, Mohammadi-Farani A, Garmsiri Mahvar M. Iran J Basic Med Sci 16 1049-1054 (2013)
  89. Synthesis and Inhibition Evaluation of New Benzyltetrahydroprotoberberine Alkaloids Designed as Acetylcholinesterase Inhibitors. de Lima BR, Lima JM, Maciel JB, Valentim CQ, Nunomura RCS, Lima ES, Koolen HHF, de Souza ADL, Pinheiro MLB, Cass QB, da Silva FMA. Front Chem 7 629 (2019)
  90. Synthesis, kinetic evaluation and molecular docking studies of donepezil-based acetylcholinesterase inhibitors. Makarian M, Gonzalez M, Salvador SM, Lorzadeh S, Hudson PK, Pecic S. J Mol Struct 1247 131425 (2022)
  91. Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors. de Aquino RA, Modolo LV, Alves RB, de Fátima Â. Org Biomol Chem 11 8395-8409 (2013)
  92. Therapeutic potency of substituted chromones as Alzheimer's drug: Elucidation of acetylcholinesterase inhibitory activity through spectroscopic and molecular modelling investigation. Baruah P, Rohman MA, Yesylevskyy SO, Mitra S. Bioimpacts 9 79-88 (2019)
  93. Tuning the activity of iminosugars: novel N-alkylated deoxynojirimycin derivatives as strong BuChE inhibitors. Ahuja-Casarín AI, Merino-Montiel P, Vega-Baez JL, Montiel-Smith S, Fernandes MX, Lagunes I, Maya I, Padrón JM, López Ó, Fernández-Bolaños JG. J Enzyme Inhib Med Chem 36 138-146 (2021)
  94. A direct assay of butyrylcholinesterase activity using a fluorescent substrate. Kang S, Lee S, Yang W, Seo J, Han MS. Org Biomol Chem 14 8815-8820 (2016)
  95. A molecular approach to rationally constructing specific fluorogenic substrates for the detection of acetylcholinesterase activity in live cells, mice brains and tissues. Wu X, An JM, Shang J, Huh E, Qi S, Lee E, Li H, Kim G, Ma H, Oh MS, Kim D, Yoon J. Chem Sci 11 11285-11292 (2020)
  96. Evaluating cytotoxicity of methyl benzoate in vitro. Bunch H, Park J, Choe H, Mostafiz MM, Kim JE, Lee KY. Heliyon 6 e03351 (2020)
  97. In silico development of new acetylcholinesterase inhibitors. Pascoini AL, Federico LB, Arêas ALF, Verde BA, Freitas PG, Camps I. J Biomol Struct Dyn 37 1007-1021 (2019)
  98. Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda. Méndez-Álvarez D, Herrera-Mayorga V, Juárez-Saldivar A, Paz-González AD, Ortiz-Pérez E, Bandyopadhyay D, Pérez-Sánchez H, Rivera G. Mol Divers 26 2025-2037 (2022)
  99. Most acetylcholinesterase activity of non-nervous tissues and cells arises from the AChE-H transcript. Montenegro MF, Nieto-Cerón S, Cabezas-Herrera J, Cabezas-Herrera J, Muñoz-Delgado E, Campoy FJ, Vidal CJ. J Mol Neurosci 53 429-435 (2014)
  100. Novel coumarin derivatives as potent acetylcholinesterase inhibitors: insight into efficacy, mode and site of inhibition. Baruah P, Basumatary G, Yesylevskyy SO, Aguan K, Bez G, Mitra S. J Biomol Struct Dyn 37 1750-1765 (2019)
  101. Novel insights on acetylcholinesterase inhibition by Convolvulus pluricaulis, scopolamine and their combination in zebrafish. Karunakaran KB, Thiyagaraj A, Santhakumar K. Nat Prod Bioprospect 12 6 (2022)
  102. Preparation, in vitro evaluation and molecular modelling of pyridinium-quinolinium/isoquinolinium non-symmetrical bisquaternary cholinesterase inhibitors. Komloova M, Horova A, Hrabinova M, Jun D, Dolezal M, Dolezal M, Vinsova J, Kuca K, Musilek K. Bioorg Med Chem Lett 23 6663-6666 (2013)
  103. Specific inhibition of acetylcholinesterase as an approach to decrease muscarinic side effects during myasthenia gravis treatment. Petrov KA, Kharlamova AD, Lenina OA, Nurtdinov AR, Sitdykova ME, Ilyin VI, Zueva IV, Nikolsky EE. Sci Rep 8 304 (2018)
  104. Taenia larvae possess distinct acetylcholinesterase profiles with implications for host cholinergic signalling. de Lange A, Prodjinotho UF, Tomes H, Hagen J, Jacobs BA, Smith K, Horsnell W, Sikasunge C, Hockman D, Selkirk ME, Prazeres da Costa C, Raimondo JV. PLoS Negl Trop Dis 14 e0008966 (2020)
  105. The insight of in vitro and in silico studies on cholinesterase inhibitors from the roots of Cimicifuga dahurica (Turcz.) Maxim. Kim JH, Thao NP, Han YK, Lee YS, Luyen BTT, Oanh HV, Kim YH, Yang SY. J Enzyme Inhib Med Chem 33 1174-1180 (2018)
  106. In Vitro and in Silico Analysis of Phytochemicals From Fallopia dentatoalata as Dual Functional Cholinesterase Inhibitors for the Treatment of Alzheimer's Disease. Wu Y, Su X, Lu J, Wu M, Yang SY, Mai Y, Deng W, Xue Y. Front Pharmacol 13 905708 (2022)
  107. A Novel In Silico Benchmarked Pipeline Capable of Complete Protein Analysis: A Possible Tool for Potential Drug Discovery. Perera DDBD, Perera KML, Peiris DC. Biology (Basel) 10 1113 (2021)
  108. Anti-neurotoxicity effects of oxoisoaporphine-lipoic acid hybrids. Chen W, Wu Y, Zhong S, Cheng L, Li Q, Tang H. Chem Biol Interact 223 45-50 (2014)
  109. Caligus rogercresseyi acetylcholinesterase types and variants: a potential marker for organophosphate resistance. Agusti-Ridaura C, Dondrup M, Horsberg TE, Leong JS, Koop BF, Bravo S, Mendoza J, Kaur K. Parasit Vectors 11 570 (2018)
  110. Design, Synthesis, and Structure-Activity Relationships of Thiazole Analogs as Anticholinesterase Agents for Alzheimer's Disease. Sağlık BN, Osmaniye D, Acar Çevik U, Levent S, Kaya Çavuşoğlu B, Özkay Y, Kaplancıklı ZA. Molecules 25 E4312 (2020)
  111. Development of Rapid and High-Precision Colorimetric Device for Organophosphorus Pesticide Detection Based on Microfluidic Mixer Chip. Xie J, Pang H, Sun R, Wang T, Meng X, Zhou Z. Micromachines (Basel) 12 290 (2021)
  112. Differences between the binding modes of enantiomers S/R-nicotine to acetylcholinesterase. Yang J, Chen Y, Liu Z, Yang L, Tang J, Miao M, Gan N, Li H. RSC Adv 9 1428-1440 (2019)
  113. Functional Analysis and Molecular Docking studies of Medicinal Compounds for AChE and BChE in Alzheimer's Disease and Type 2 Diabetes Mellitus. Kaladhar DS, Yarla NS, Anusha N. Aging Dis 4 186-200 (2013)
  114. In Vitro and In Silico Anti-Acetylcholinesterase Activity from Macaranga tanarius and Syzygium jambos. Amir Rawa MS, Nurul Azman NA, Mohamad S, Nogawa T, Wahab HA. Molecules 27 2648 (2022)
  115. Love Wave Surface Acoustic Wave Sensor with Laser-Deposited Nanoporous Gold Sensitive Layer. Viespe C, Dinca V, Popescu-Pelin G, Miu D. Sensors (Basel) 19 E4492 (2019)
  116. Monitoring the Activity and Inhibition of Cholinesterase Enzymes using Single-Walled Carbon Nanotube Fluorescent Sensors. Loewenthal D, Kamber D, Bisker G. Anal Chem 94 14223-14231 (2022)
  117. Novel Aminoguanidine Hydrazone Analogues: From Potential Antimicrobial Agents to Potent Cholinesterase Inhibitors. Krátký M, Štěpánková Š, Konečná K, Svrčková K, Maixnerová J, Švarcová M, Janďourek O, Trejtnar F, Vinšová J. Pharmaceuticals (Basel) 14 1229 (2021)
  118. Profiling of acetylcholinesterase inhibitory alkaloids from some Crinum, Habranthus and Zephyranthes species by GC-MS combined with multivariate analyses and in silico studies. Shawky E, El Sohafy SM, de Andrade JP, de Souza Borges W. Nat Prod Res 35 807-814 (2021)
  119. Protective Role of a Donepezil-Huprine Hybrid against the β-Amyloid (1-42) Effect on Human Erythrocytes. Zambrano P, Suwalsky M, Jemiola-Rzeminska M, Gallardo-Nelson MJ, Strzalka K, Muñoz-Torrero D. Int J Mol Sci 22 9563 (2021)
  120. Small molecular floribundiquinone B derived from medicinal plants inhibits acetylcholinesterase activity. Niu B, Zhang M, Du P, Jiang L, Qin R, Su Q, Chen F, Du D, Shu Y, Chou KC. Oncotarget 8 57149-57162 (2017)
  121. Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism. Pham VD, To TA, Gagné-Thivierge C, Couture M, Lagüe P, Yao D, Picard MÈ, Lortie LA, Attéré SA, Zhu X, Levesque RC, Charette SJ, Shi R. J Biol Chem 295 8708-8724 (2020)
  122. Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts. Padrtova T, Marvanova P, Odehnalova K, Kubinova R, Parravicini O, Garro A, Enriz RD, Humpa O, Oravec M, Mokry P. Molecules 22 E2048 (2017)
  123. The assessment of cholinesterase from the liver of Puntius javanicus as detection of metal ions. Sabullah MK, Sulaiman MR, Abd Shukor MY, Syed MA, Shamaan NA, Khalid A, Ahmad SA. ScientificWorldJournal 2014 571094 (2014)
  124. Acetamide Derivatives of Chromen-2-ones as Potent Cholinesterase Inhibitors. Prasad S, Kumar B, Kumar S, Chand K, Kamble SS, Gautam HK, Sharma SK. Arch Pharm (Weinheim) 350 (2017)
  125. Arylaminopropanone Derivatives as Potential Cholinesterase Inhibitors: Synthesis, Docking Study and Biological Evaluation. Hudcová A, Kroutil A, Kubínová R, Garro AD, Gutierrez LJ, Enriz D, Oravec M, Csöllei J. Molecules 25 E1751 (2020)
  126. Aryldiazoquinoline based multifunctional small molecules for modulating Aβ42 aggregation and cholinesterase activity related to Alzheimer's disease. Rana M, Pareek A, Bhardwaj S, Arya G, Nimesh S, Arya H, Bhatt TK, Yaragorla S, Sharma AK. RSC Adv 10 28827-28837 (2020)
  127. Butyrylcholinesterase in SH-SY5Y human neuroblastoma cells. Onder S, Schopfer LM, Jiang W, Tacal O, Lockridge O. Neurotoxicology 90 1-9 (2022)
  128. Caffeine prevents changes in muscle caused by high-intensity interval training. Vieira JM, Gutierres JM, Carvalho FB, Pereira LB, Oliveira LS, Morsch VM, Schetinger MRC, Rodrigues MV, Leitemperger J, Loro V, Krewer CC, Vencato MS, Spanevello RM. Biomed Pharmacother 89 116-123 (2017)
  129. Chalcone Scaffolds Exhibiting Acetylcholinesterase Enzyme Inhibition: Mechanistic and Computational Investigations. Malik YA, Awad TA, Abdalla M, Yagi S, Alhazmi HA, Ahsan W, Albratty M, Najmi A, Muhammad S, Khalid A. Molecules 27 3181 (2022)
  130. Cooperative hydrogen bonds and mobility of the non-aromatic ring as selectivity determinants for human acetylcholinesterase to similar anti-Alzheimer's galantaminics: a computational study. Rocha REO, Lima LHF. J Biomol Struct Dyn 37 1843-1856 (2019)
  131. Fine Tuning of Cholinesterase and Glutathione-S-Transferase Activities by Organoruthenium(II) Complexes. Trobec T, Sepčić K, Žužek MC, Kladnik J, Podjed N, Cardoso Páscoa C, Turel I, Frangež R. Biomedicines 9 1243 (2021)
  132. High-Voltage Instability of Vinylene Carbonate (VC): Impact of Formed Poly-VC on Interphases and Toxicity. Kubot M, Balke L, Scholz J, Wiemers-Meyer S, Karst U, Hayen H, Hur H, Winter M, Kasnatscheew J, Nowak S. Adv Sci (Weinh) 11 e2305282 (2024)
  133. Improved machine learning scoring functions for identification of Electrophorus electricus's acetylcholinesterase inhibitors. Ganeshpurkar A, Singh R, Shivhare S, Divya, Kumar D, Gutti G, Singh R, Kumar A, Singh SK. Mol Divers 26 1455-1479 (2022)
  134. In Silico and In Vitro Studies of Benzothiazole-Isothioureas Derivatives as a Multitarget Compound for Alzheimer's Disease. Rosales Hernández MC, Fragoso Morales LG, Correa Basurto J, Olvera Valdez M, García Báez EV, Román Vázquez DG, Anaya García AP, Cruz A. Int J Mol Sci 23 12945 (2022)
  135. In Vitro Effects of 2-{4-[Methylthio(methylsulfonyl)]phenyl}-3-substitutedthiazolidin-4-ones on the Acetylcholinesterase Activity in Rat Brain and Lymphocytes: Isoform Selectivity, Kinetic Analysis, and Molecular Docking. da Silva DS, Soares MSP, Martini F, Pesarico AP, de Mattos BDS, de Souza AA, da Silva CEH, Scaini JLR, Machado KDS, Wayne Nogueira C, Spanevello RM, Cunico W. Neurochem Res 45 241-253 (2020)
  136. In silico approaches to evaluate the molecular properties of organophosphate compounds to inhibit acetylcholinesterase activity in housefly. Marimuthu P, Lee YJ, Kim B, Seo SS. J Biomol Struct Dyn 37 307-320 (2019)
  137. Indoxyl Acetate as a Substrate for Analysis of Lipase Activity. Valek T, Kostelnik A, Valkova P, Pohanka M. Int J Anal Chem 2019 8538340 (2019)
  138. Protective propensity of bacoside A and bromelain on renal cholinesterases, γ-Aminobutyric acid and serotonin level of Mus musculus intoxicated with dichlorvos. Agarwal S, Chaudhary B, Bist R. Chem Biol Interact 261 139-144 (2017)
  139. Structural features of thyroglobulin linked to protein trafficking. Citterio CE, Kim K, Rajesh B, Pena K, Clarke OB, Arvan P. Protein Sci 32 e4784 (2023)
  140. Synthesis, solid state self-assembly driven by antiparallel π⋯π stacking and {⋯H-C-C-F}2 dimer synthons, and in vitro acetyl cholinesterase inhibition activity of phenoxy pendant isatins. Mehreen S, Ullah A, Nadeem H, Dege N, Naseer MM. RSC Adv 12 1788-1796 (2022)
  141. Transfer of Proteins from Cultured Human Adipose to Blood Cells and Induction of Anabolic Phenotype Are Controlled by Serum, Insulin and Sulfonylurea Drugs. Müller GA, Müller TD. Int J Mol Sci 24 4825 (2023)
  142. Accumbens cholinergic interneurons dynamically promote dopamine release and enable motivation. Mohebi A, Collins VL, Berke JD. Elife 12 e85011 (2023)
  143. Acetylcholine signaling genes are required for cocaine-stimulated egg laying in Caenorhabditis elegans. Emerson S, Hay M, Smith M, Granger R, Blauch D, Snyder N, El Bejjani R. G3 (Bethesda) 11 jkab143 (2021)
  144. Design, Synthesis, and In Vitro and In Silico Approaches of Novel Indanone Derivatives as Multifunctional Anti-Alzheimer Agents. Sağlık BN, Levent S, Osmaniye D, Evren AE, Karaduman AB, Özkay Y, Kaplancıklı ZA. ACS Omega 7 47378-47404 (2022)
  145. Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators. Kitagawa DAS, Rodrigues RB, Silva TN, Dos Santos WV, da Rocha VCV, de Almeida JSFD, Bernardo LB, Carvalho-Silva T, Ferreira CN, da Silva AAT, Simas ABC, Nepovimova E, Kuča K, França TCC, Cavalcante SFA. J Enzyme Inhib Med Chem 36 1370-1377 (2021)
  146. Designing multi-target-directed flavonoids: a strategic approach to Alzheimer's disease. Park S, Kim M, Lin Y, Hong M, Nam G, Mieczkowski A, Kardos J, Lee YH, Lim MH. Chem Sci 14 9293-9305 (2023)
  147. Development of a carbon quantum dot-based sensor for the detection of acetylcholinesterase and the organophosphate pesticide. Mahmoudi N, Fatemi F, Rahmandoust M, Mirzajani F, Ranaei Siadat SO. Heliyon 9 e19551 (2023)
  148. Distinct contributions of A314S and novel R667Q substitutions of acetylcholinesterase 1 to carbofuran resistance of Chilo suppressalis Walker. Dai SM, Chang C, Huang XY. Pest Manag Sci 72 1421-1426 (2016)
  149. Dual acting oximes designed for therapeutic decontamination of reactive organophosphates via catalytic inactivation and acetylcholinesterase reactivation. Cannon J, Tang S, Yang K, Harrison R, Choi SK. RSC Med Chem 12 1592-1603 (2021)
  150. Evaluating Fmoc-amino acids as selective inhibitors of butyrylcholinesterase. Gonzalez J, Ramirez J, Schwans JP. Amino Acids 48 2755-2763 (2016)
  151. Excitatory Impact of Dental Occlusion on Dorsal Motor Nucleus of Vagus. Liu X, Shi M, Ren H, Xie M, Zhang C, Wang D, Liu X, Li J, Wang M. Front Neural Circuits 15 638000 (2021)
  152. Exploration of a library of piperonylic acid-derived hydrazones possessing variable aryl functionalities as potent dual cholinesterase and monoamine oxidase inhibitors. Kumar VP, Vishnu MS, Kumar S, Jaiswal S, Ayyannan SR. Mol Divers (2022)
  153. Exposure of adult zebrafish (Danio rerio) to SARS-CoV-2 at predicted environmentally relevant concentrations: Outspreading warns about ecotoxicological risks to freshwater fish. Luz TMD, Guimarães ATB, Matos SGDS, de Souza SS, Gomes AR, Rodrigues ASL, Durigon EL, Charlie-Silva I, Freitas ÍN, Islam ARMT, Rahman MM, Silva AM, Malafaia G. Sci Total Environ 880 163269 (2023)
  154. Guided Evolution of Recombinant Bombyx mori Acetylcholinesterase II by Homology Modeling to Change Pesticide Sensitivity. Cai J, Wang B, Li J, Chen Z, Rao M, Muyldermans S, Hua X, Xie X, Wang H, Yang J, Xu Z, Shen Y, Sun Y. Int J Mol Sci 19 E3366 (2018)
  155. Hop Flower Supercritical Carbon Dioxide Extracts Coupled with Carriers with Solubilizing Properties-Antioxidant Activity and Neuroprotective Potential. Stasiłowicz-Krzemień A, Cielecka-Piontek J. Antioxidants (Basel) 12 1722 (2023)
  156. Identification of Natural Compounds of the Apple as Inhibitors against Cholinesterase for the Treatment of Alzheimer's Disease: An In Silico Molecular Docking Simulation and ADMET Study. Jamal QMS, Khan MI, Alharbi AH, Ahmad V, Yadav BS. Nutrients 15 1579 (2023)
  157. Identification of novel acetylcholinesterase inhibitors through 3D-QSAR, molecular docking, and molecular dynamics simulation targeting Alzheimer's disease. El Khatabi K, El-Mernissi R, Aanouz I, Ajana MA, Lakhlifi T, Khan A, Wei DQ, Bouachrine M. J Mol Model 27 302 (2021)
  158. Integrative Analysis of Transcriptome and Metabolome Reveals Molecular Responses in Eriocheir sinensis with Hepatopancreatic Necrosis Disease. Zhan M, Wen L, Zhu M, Gong J, Xi C, Wen H, Xu G, Shen H. Biology (Basel) 11 1267 (2022)
  159. Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry. Galland N, Kone S, Le Questel JY. J Comput Aided Mol Des 26 1111-1126 (2012)
  160. Novel hydroxybenzylamine-deoxyvasicinone hybrids as anticholinesterase therapeutics for Alzheimer's disease. Bowroju SK, Penthala NR, Lakkaniga NR, Balasubramaniam M, Ayyadevara S, Shmookler Reis RJ, Crooks PA. Bioorg Med Chem 45 116311 (2021)
  161. Pharmacophore mapping of the crucial mediators of acetylcholinesterase and butyrylcholinesterase dual inhibition in Alzheimer's disease. Adeowo FY, Elrashedy AA, Ejalonibu MA, Lawal IA, Lawal MM, Kumalo HM. Mol Divers 26 2761-2774 (2022)
  162. Potential Acetylcholinesterase Inhibitor Acting on the Pesticide Resistant and Susceptible Cotton Pests. Sakthivel S, Mohideen HS, Raman C, Mohamad SB. ACS Omega 7 20515-20527 (2022)
  163. Recent Development of Novel Aminoethyl-Substituted Chalcones as Potential Drug Candidates for the Treatment of Alzheimer's Disease. Sharma P, Singh M, Singh V, Singh TG, Singh T, Ahmad SF. Molecules 28 6579 (2023)
  164. Synthesis, Antiacetylcholinesterase Activity, and Molecular Dynamics Simulation of Aporphine-benzylpyridinium Conjugates. Khunnawutmanotham N, Sooknual P, Batsomboon P, Ploypradith P, Chimnoi N, Patigo A, Saparpakorn P, Techasakul S. ACS Med Chem Lett 15 132-142 (2024)
  165. The Impact of Software Used and the Type of Target Protein on Molecular Docking Accuracy. Ivanova L, Karelson M. Molecules 27 9041 (2022)
  166. Therapeutic Potential of HMF and Its Derivatives: a Computational Study. Singh SK, Sasmal S, Kumar Y. Appl Biochem Biotechnol (2023)
  167. Three to Tango: Inhibitory Effect of Quercetin and Apigenin on Acetylcholinesterase, Amyloid-β Aggregation and Acetylcholinesterase-Amyloid Interaction. Álvarez-Berbel I, Espargaró A, Viayna A, Caballero AB, Busquets MA, Gámez P, Luque FJ, Sabaté R. Pharmaceutics 14 2342 (2022)
  168. Transgenic Expression of dsRNA Targeting the Pentalonia nigronervosa acetylcholinesterase Gene in Banana and Plantain Reduces Aphid Populations. Jekayinoluwa T, Tripathi JN, Dugdale B, Obiero G, Muge E, Dale J, Tripathi L. Plants (Basel) 10 613 (2021)


Quick links