Acetylcholinesterase: Enzyme structure, reaction dynamics, and virtual transition states

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1. Anti-Acetylcholinesterase Derivatives: A Privileged Structural Framework in Drug Discovery to Treat Alzheimer’s Disease
   Monika Bhardwaj, Vaishali Manikrao Patil, Rakhi Dhiman, Satya P. Gupta, Neeraj Masand · 2019 · Current Enzyme Inhibition
2. Inhibition of cholinesterase by insecticides
   Josie Mei Lai, John Ho · 1997 · Biochemical Education
3. STUDIES ON DIASTEREOMERIC N-PHOSPHONOAMINO ACID ESTERS CONTAINING A PHOSPHORUS-CARBON BOND
   Qing-Jin Yan, Guohui Zhao, Yufen Zhao · 1994 · Phosphorus, sulfur, and silicon and the related elements
4. Binding Sites of Acetylcholine in the Aromatic Gorge Leading to the Active Site of Acetylcholinesterase
   Alberte Pullman · 1995 · Jerusalem Symposia on Quantum Chemistry and Biochemistry
5. Enzyme-based detoxification of organophosphorus neurotoxic pesticides and chemical warfare agents
   Rory James Kern · 2007 · OakTrust (Texas A&M University Libraries)
6. Impact of clothianidin exposure on the growth, metabolism, and neurological function of Penaeus vannamei
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7. Çuha Çiçeği (Oenothera biennis) ve Tatlı Badem (Prunus dulcis Mill) Yağlarının Anti-enzim Aktivitelerinin Araştırılması
   Ebru Akkemik · 2020 · European Journal of Science and Technology
8. Acetylcholinesterase
   Harry A. Morrison · 2020 · Elsevier eBooks
9. From wetlands to landfills: white stork ( Ciconia ciconia L., 1758) as a reliable bioindicator of ecosystem health
   Dora Bjedov, Alma Mikuška, Mirna Velki · 2025 · Archives of Industrial Hygiene and Toxicology
10. Application of a dynamic in vitro model with real-time determination of acetylcholinesterase activity for the investigation of tabun analogues and oximes
    Franz Worek, Nadja M. Herkert, Marianne Koller · 2015 · Toxicology in Vitro
11. EVALUATION OF ANTIBACTERIAL, ANTIFUNGAL, ENZYME INHIBITION AND HEMOLYTIC ACTIVITIES OF CARYOPTERIS ODORATA FRACTIONS
    Muhammad Athar Abbasi, Azizur Rehman, Viqar Uddin Ahmad, Tauheeda Riaz, Farah Khlaid · 2014 · International Research Journal of Pharmacy
12. Review: Can Toxic Substances Initiate Psychotic Behavior? Part II. Organophosphate (OP) Substances with Anti-Acetylcholinesterase Enzyme Activity
    Ilia Brondz · 2015 · Voice of the Publisher
13. Direct ab‐initio molecular dynamics study on the radiation effects on catalytic triad composed of S er‐ H is‐ G lu residues
    Hiroto Tachikawa, Hiroshi Kawabata · 2015 · International Journal of Quantum Chemistry
14. Effect of Mg2+-ATP on Acetylcholinesterase of Electrophorus electricus (L.)
    A. Nery da Matta, C. B. Silva, AÍDA HASSÓN-VOLOCH · 1996 · Zeitschrift für Naturforschung C
15. Crystallographic Studies on Complexes of Acetylcholinesterase with the Natural Cholinesterase Inhibitors Fasciculin and Huperzine A
    Israel Silman, Michal Harel, Mia L. Raves · 1998 · Advances in behavioral biology
16. Biosensors for Pesticides and Foodborne Pathogens
    Gennady A. Evtugyn · 2013 · Series in sensors
17. 4-Hydroxybenzohydrazide: A Potential Reactivator for Malathion-Inhibited Human Acetylcholinesterase
    Rauda A. Mohamed, Keat Khim Ong, Norhana Abdul Halim · 2021 · IOP Conference Series Materials Science and Engineering
18. Inhibition of Acetylcholinesterases by Stereoisomeric Organophosphorus Compounds Containing Both Thioester and p-Nitrophenyl Leaving Groups
    Todd T. Talley, Chih‐Kai Chao, Clifford E. Berkman · 2020 · Chemical Research in Toxicology
19. Microwave Assisted Synthesis of BenzilideneBenzylamine and Its Acetylcholinesterase and Butyrylcholinesterase Activity
    Himayat Ullah, Khair Zaman, Muhammad Ismail · 2020 · Journal Of Tropical Pharmacy And Chemistry
20. Molecular Dissection of Functional Domains in Human Cholinesterases Expressed in Microinjected Xenopus Oocytes
    Averell L. Gnatt, Yael Loewenstein, Hermona Soreq · 1992 · Springer eBooks
21. ENZYMES AND TARGETED ACTIVATION OF PRODRUGS
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22. Quantum Mechanical Model of Proton Transfer in a Fluctuating Potential Field of the Active Site of α-Chymotrypsin
    B. A. Grishanin, Yu. M. Romanovskii, A. Yu. Chikishev · 2007 · Springer eBooks
23. Synthesis of phosphorylated tripeptides representing poisoned acetylcholinesterase
    Charles M. Thompson, Alirica Isabel Suarez, Jing Lin · 1993 · Tetrahedron Letters
24. A theoretical investigation of some novel pilocarpine prodrugs
    Michaela Ek holm, Henrik Konschin · 1994 · International Journal of Quantum Chemistry
25. Synthese und Charakterisierung photolabiler Verbindungen, die Noracetylcholin innerhalb von Mikrosekunden freisetzen
    Ling Peng, Jakob Wirz, Maurice Ph. Goeldner · 1997 · Angewandte Chemie
26. Fasciculin 2 Binds to the Peripheral Site on Acetylcholinesterase and Inhibits Substrate Hydrolysis by Slowing a Step Involving Proton Transfer during Enzyme Acylation
    Jean F. Eastman, Erica J. Wilson, Carlos Červeñanský · 1995 · Springer eBooks
27. Dynamic Responses of Striatal Cholinergic Interneurons Control the Extinction and Updating of Goal-Directed Learning
    Zhenbo Huang, Ruifeng Chen, Matthew Ho, Xueyi Xie, Xuehua Wang, Jun Wang · 2023 · bioRxiv (Cold Spring Harbor Laboratory)
28. Acetylcholinesterase and Its Inhibitors
    Albert Enz · 2004 · Elsevier eBooks
29. Synthesis, Biological Activity Studies and Molecular Modeling Studies of Chalcone Compounds with Methyl Group
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30. An Automated Approach for Prediction of Half-Maximal Inhibitory Concentration (pIC50) Values, Bioactivity Classes of Acetylcholinesterase Inhibitors and Its Application to Alzheimer’s Disease
    M R Nanda Kumar · 2023 · International Conference on Developments in eSystems Engineering (DeSE)
31. Continuous Flow Synthesis of the Nerve Agent Antidote Pralidoxime (2‐PAM) Iodide
    Mauro R. B. P. Gomez, Vinicius C. V. da Rocha, Letícia S. Chaves, Larissa E. Gotardo, Raquel A. C. Leão, Daniel A. S. Kitagawa, Samir F. de A. Cavalcante, Rodrigo O. M. A. de Souza · 2024 · ChemistrySelect
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33. Mechanistic Insights into Enhanced Reactivation of Organophosphate-Inhibited Enzymes by Methyl-Substituted 2-Pralidoxime Analogs
    Phiphob Naweephattana, Nalinee Kongkaew, Panida Surawatanawong et al. · 2025 · The Journal of Physical Chemistry B
34. Observation of a Relationship Between Orbital-Specific Molecular Similarity Index and Toxicity of Methylcarbamate Derivatives
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35. Assessing the Chronic Effects of Dietary Aluminum on Fitness Traits, Acetylcholinesterase Activity and Locomotion in Lymantria dispar L. Larvae
    Milena Vlahović, Dragana R. Matić, Dajana D. Todorović · 2025 · Insects
36. Boron-containing anticancer agents: a target-centric review of structure–activity relationships and clinical pipeline
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37. Isatin–pyridine oxime hybrids as potential reactivators of A-242-inhibited acetylcholinesterase
    Amanda M. V. Pinto, Dipanjan Bhattacharyya, M A L da Silva et al. · 2026 · Archives of Toxicology
38. Role of acetylcholinesterase inhibitors in the management of Alzheimer's disease
    Shikha Kaushik, Vaishali M. Patil, Pragya Sharma, Shivangi Bharadwaj, Shikha Kaushik, Swati Verma, Sarvesh Paliwal · 2026 · Letters in Drug Design & Discovery
39. Nanomaterials in the Cholinesterase Biosensors for Inhibitor Determination
    Gennady A. Evtugyn, Ravil Younusov, Alexey N. Ivanov · 2012 · NATO science for peace and security series. A, Chemistry and biology
40. Inhibition Mechanism of Cholinesterases by Carbamate: A Theoretical Study
    Yuan Yao, Ze‐Sheng Li · 2008 · Chemical Research in Chinese Universities
41. Modelling interactions between Loop1 of Fasciculin2 (Fas2) and Torpedo californica acetylcholinesterase (TcAChE)
    Jing Wang, Jiande Gu, Jerzy Leszczyński · 2006 · Chemical Physics Letters
42. Quantum chemical justification of the specificity of enzyme catalysis: Correlations between the rate of enzyme catalysis by acetylcholinesterase and substrate structure
    Sofya V. Lushchekina, Alexander V. Nemukhin, Dmitry I. Morozov · 2009 · Doklady Physical Chemistry
43. Activation Mechanisms of Butyrylcholinesterase by 2,4,6-Trinitrotoluene, 3,3-Dimethylbutyl-N-n-butylcarbamate, and 2-Trimethylsilyl-ethyl-N-n-butylcarbamate
    Shyh‐Ying Chiou, Yon‐Gi Wu, Gialih Lin · 2008 · Applied Biochemistry and Biotechnology
44. Novel ferrocenyl phosphonate derivatives. Inhibition of serine hydrolases by ferrocene azaphosphonates
    Bogna Rudolf, Michèle Salmain, Pierre Haquette · 2010 · Applied Organometallic Chemistry
45. Spectral Element Simulation of Reaction-Diffusion System in the Neuromuscular Junction
    Don Liu Yifan Wang · 2013 · Journal of Applied & Computational Mathematics
46. Butyrylcholinesterase: Potential Importance for the Symptoms and Progression of Cognitive Decline in People with Dementia
    Clive G. Ballard, Elaine King Perry · 2003 · Acta Neurologica Taiwanica
47. Парези при нейропатії та радикулопатії: тактика лікування
    Mykhaylo M. Oros, Volodymyr Smolanka, Rostyslav Yatsynyn · 2018 · INTERNATIONAL NEUROLOGICAL JOURNAL
48. Clef topo-toxicity by cubic representations of organophosphates
    Bogdan Bumbăcilă, Mihai V. Putz · 2018 · Fullerenes Nanotubes and Carbon Nanostructures
49. Biocatalytic modifications of ethynodiol diacetate by fungi, anti-proliferative activity, and acetylcholineterase inhibitory of its transformed products
    Sharifah Nurfazilah Wan Yusop, Syahrul Imran, Mohd Ilham Adenan, Kamran Ashraf, Sadia Sultan · 2021 · Steroids
50. Advances Toward the Development of New Therapeutic Strategies Targeting Acetylcholinesterase and Its Remediation Processes
    Alexandre Alves de Castro, Letícia Cristina de Assis, Giovanna Cardoso Gajo, Teodorico C. Ramalho, Felipe A. La Porta · 2021 · Engineering materials
51. Yeni Tiyazolil-Hidrazin Türevlerinin Sentezi ve Asetilkolinesteraz (AChE) ve Bütirilkolinesteraz (BuChE) Aktivite Çalışmaları
    Ayşen Işık, Ulviye Acar Çevik, Tuğba Erçeti̇n, Ahmet Ömer KOÇAK · 2022 · Bilecik Şeyh Edebali Üniversitesi Fen Bilimleri Dergisi
52. Nerve agents surrogates: synthetic approaches and uses thereof for analytical and toxicological purposes
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53. Toxinology of Cephalopods: A Review Article
    Hossien Mohebbi, Ammar Maryamabadi · 2021 · Iranian South Medical Journal
54. Novel simple enzymatic potentiometric approach for toxicological assessment of anticholinesterase and Alzheimer’s drugs Enzymatic approach toxicological assessment
    Safaa Omran, Eman M. Shoukry, Eman F. Mohamed, Elmorsy Khaled, Rehab O. El‐Attar · 2022 · Egyptian Pharmaceutical Journal
55. Pre-Steady-State and Steady-State Kinetic Analysis of Butyrylcholinesterase-Catalyzed Hydrolysis of Mirabegron, an Arylacylamide Drug
    Zukhra M. Shaihutdinova, Patrick Masson · 2024 · Molecules
56. Heteroatom-Doped Graphene-Based Electrochemical Sensors for Toxic Chemicals
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57. Cloning and Expression of Rat Brain Acetylcholinesterase Enzyme in Escherichia coli
    Ahmet KARAKUŞ, Hamid Ceylan, Orhan Erdoğan · 2022 · Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi
58. Group Transfer Reactions: Hydrolysis, Amination, Phosphorylation
    2002 · Elsevier eBooks
59. Acetylcholinesterase as a Pharmacological Target in Cancer Research
    Sang Eun Park, Young Hyun Yoo · 2009 · Springer eBooks
60. Click Chemistry: The Triazole Ring as a Privileged Peptidomimetic Scaffold
    Andrea Trabocchi, Antonio Guarna · 2014
61. Protein Dynamics: A Theoretical Perspective
    Steven L. Kazmirski, Valerie Daggett · 1997 · Advances in molecular and cell biology
62. Desenvolvimento de biossensores de pasta de carbono e de pasta de nanotubos de carbono modificados com a enzima acetilcolinesterase para detecção de pesticidas da classe dos carbamatos
    Murilo T. Martinez · 2011
63. Insulin-mediated modulation of cytochrome P450 gene induction profiles in primary rat hepatocyte cultures
    Jaspreet S. Sidhu, Curtis J. Omiecinski · 1999 · Journal of Biochemical and Molecular Toxicology
64. Effect of electrostatic interactions in recognition of acetylcholine by acetylcholinesterase
    Charilaos E. Linaras, Kamalendra Singh, David S. Kristol · 1998 · Journal of Molecular Structure THEOCHEM
65. SELECTIVE BUTYRYLCHOLINESTERASE INHIBITORS AMONG DIALKYLPHOSPHORAMIDOFLUORIDATES
    K. A. Anikienko, E. A. Bychikhin, E. A. Fokin · 1997 · Phosphorus, sulfur, and silicon and the related elements
66. Epoxy Type Inhibitors of Cholesterol Esterase, Acetylcholinesterase, and Butyrylcholinesterase
    Gialih Lin, Bing-Hong Kao · 2000 · Journal of the Chinese Chemical Society
67. A Structure–Function Study of a Catalytic Antiidiotypic Antibody to the Human Erythrocyte Acetyl Cholinesterase
    E. S. Aleksandrova, F. Koralevski, Mikhail I. Titov et al. · 2002 · Russian Journal of Bioorganic Chemistry
68. Structure of the Acylation Transition State for Acetylcholinesterase Catalysis
    Siobhan Malany, R. Steven Sikorski, Javier Seravalli · 1998 · Springer eBooks
69. Role of prefrontal cortex and cholinergic modulation in attentional performance in rats
    Beth M. Fisher · 2017 · Apollo (University of Cambridge)
70. Enzymology
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71. Acetylcholinesterase
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72. Characterization of Monoclonal Antibodies that Strongly Inhibit Electrophorus Electricus Acetylcholinesterase
    Marie Hélène Remy, Yveline Frobert, Jacques Grassi · 1995 · European Journal of Biochemistry
73. Adverse Outcome Pathways (AOPs) of Combined Pollutant Mixtures and Their Toxicogenetic Endpoints
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74. How Three-Fingered Snake Toxins Recognise Their Targets
    Kurt Giles, Mia L. Raves, Israel Silman · 1997 · Springer eBooks
75. Structures of Complexes of Acetylcholinesterase with Covalently and Non-Covalently Bound Inhibitors
    Joel L. Sussman, Michal Harel, Mia L. Raves · 1995 · Springer eBooks
76. Assessment of In-House Natural Product and Synthetic Compound Libraries Based on In vitro Inhibition of Cholinesterases
    Päivi P. Järvinen · 2011 · Työväentutkimus Vuosikirja
77. Combined Action of Temperature and Pressure on the Catalytic Activity of Wild-Type and D70G Mutant of Human Butyrylcholinesterase
    Alexandra Weingand-Ziadé, Frédérique Renault, Patrick Masson · 1999 · Springer eBooks
78. Electrochemical multiphase microsensor for detection of acetylcholinesterase inhibitors
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79. Aspectos moleculares da reativação da acetilcolinesterase inibida por ciclosarin e carbofurano
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80. Structural Studies on Acetylcholinesterase and Paraoxonase Directed Towards Development of Therapeutic Biomolecules for the Treatment of Degenerative Diseases and Protection Against Chemical Threat Agents
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81. Acetylcholinesterase inhibition via a series of polyacene probe molecules: an example of integrated probe management techniques.
    Jeffrey L. Taylor, Richard T. Mayer, Chester M. Himel · 1995 · Analytical spectroscopy library
82. An in vivo biosensor for neurotransmitter release and In situ receptor activity : acetylcholine and the M1 muscarinic receptor
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83. X-Ray Crystallographic Studies on Acetylcholinesterase and Related Enzymes
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84. Regulation of expression and cellular release of acetylcholinesterase
    David A. Hicks · 2013 · White Rose eTheses Online (University of Leeds, The University of Sheffield, University of York)
85. Catalysis of Esterolytic Reactions by the Anti-Idiotypic Antibody against Human Erythrocyte Acetylcholinesterase
    Elena S. Alexandrova, F. Koralewski, Mikhail I. Titov et al. · 2001 · Doklady Biochemistry and Biophysics
86. Structure-Function Relationship Studies in Human Cholinesterases as an Approach for Evaluating Potential Pharmacotherapeutic and/Or Toxicity Effects of Cholinergic Drugs
    Hermona Soreq, Yael Loewenstein, Lewis F. Neville · 1991 · Birkhäuser Boston eBooks
87. Binding partners for mouse acetylcholinesterase in the central nervous system
    Laura E. Paraoanu · 2008 · Technischen Universität Darmstadt
88. Influência do metanol e do etanol sobre a atividade e a expressão gênica das ectonucleotidases e acetilcolinestrase em cérebro de zebrafish (Danio rerio)
    Eduardo Pacheco Rico · 2007 · Americanae (AECID Library)
89. Exploration structurale du paysage conformationnel de l’acétylcholinestérase par cristallographie cinétique
    Jacques‐Philippe Colletier, Martin H. Weik · 2007 · Annales Pharmaceutiques Françaises
90. In vitro Screening of Oxime Reactivators on the Model of Paraoxon-inhibited Acetylcholinesterase-SAR Study
    Ondřej Holas, Kamil Musílek, Miroslav Pohanka · 2010 · Bulletin of the Korean Chemical Society
91. STRUCTURAL FEATURE OF AChE INHIBITOR HUPERZINE B IN NATURE AND IN THE BINDING SITE OF AChE: DENSITY FUNCTIONAL THEORY STUDY COMBINED WITH IR DETERMINATION
    Xiaomin Luo, CHENG FENG, XIAO-JIAN TAN et al. · 2002 · Journal of Theoretical and Computational Chemistry
92. Acetylcholinesterase inhibition activity of some quinolinyl substituted triazolothiadiazole derivatives
    Muhammad Rafiq, Muhammad Saleem, Muhammad Asif Hanif · 2015 · Russian Journal of Bioorganic Chemistry
93. Méthodologie de synthèse des analogues à chaînes ouvertes de l’huperzine A
    Jameleddine Khiari, Béchir Ben Hassine, Denis H. Gravel · 2001 · Comptes Rendus de l Académie des Sciences - Series IIC - Chemistry
94. Molecular modeling studies of AChE inhibition by sarin
    Charilaos E. Linaras, A. Ritter, David S. Kristol · 2002 · Proceedings of the IEEE Annual Northeast Bioengineering Conference
95. Modulação da neurotransmissão colinérgica como resposta aos efeitos causados pela exposição ao nanocomposto de carbono fulereno c60 utilizando zebrafish (danio rerio) como modelo de estudo
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96. Computational study of substrate isotope effect probes of transition state structure for acetylcholinesterase catalysis
    Renatus Sikorski, Siobhan Malany, Javier Seravalli · 2002 · Nukleonika
97. Stereo‐specific inhibition of acetyl‐ and butyryl‐cholinesterases by enantiomers of cis,cis‐decahydro‐2‐naphthyl‐N‐n‐butylcarbamate
    Ming‐Cheng Lin, Shyh-Jei Yeh, I‐Ru Chen · 2011 · Journal of Biochemical and Molecular Toxicology
98. Cholinesterase activity as biomarker of neurotoxicity: utility in the assessment of aquatic environment contamination * Actividade da colinesterase como biomarcador de neurotoxicidade: avaliação da contaminação em ambientes aquáticos **
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99. Effect of pirimiphos-methyl on esterase activities in oreochromis niloticus in Morogoro, Tanzania
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100. Free energies and equilibria of peptide bond hydrolysis and formation.
     Martin, R. Bruce · 1998 · Biopolymers