Acetylcholinesterase: enzyme structure, reaction dynamics, and virtual transition states
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- NMR Evidence for a Short, Strong Hydrogen Bond at the Active Site of a CholinesteraseCarol Viragh, Thomas K. Harris, Putta Mallikarjuna Reddy · 2000 · Biochemistry
- Studying the roles of W86, E202, and Y337 in binding of acetylcholine to acetylcholinesterase using a combined molecular dynamics and multiple docking approachJeremy Kua, Yingkai Zhang, Angelique C. Eslami, John R. Butler, James Andrew McCammon · 2003 · Protein Science
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- Neuroprotective Role of Novel Triazine Derivatives by Activating Wnt/β Catenin Signaling Pathway in Rodent Models of Alzheimer’s DiseaseAnshuman Sinha, Riyaj S. Tamboli, Brashket Seth · 2014 · Molecular Neurobiology
- Host−Guest Complexes and Pseudorotaxanes of Cucurbit[7]uril with Acetylcholinesterase InhibitorsIan Wyman, Donal H. Macartney · 2009 · The Journal of Organic Chemistry
- Effects of viscosity and osmotic stress on the reaction of human butyrylcholinesterase with cresyl saligenin phosphate, a toxicant related to aerotoxic syndrome: kinetic and molecular dynamics studiesPatrick Masson, Sofya V. Lushchekina, Lawrence M. Schopfer, Oksana Lockridge · 2013 · Biochemical Journal
- Structure−Reactivity Relationships for the Inhibition Mechanism at the Second Alkyl-Chain-Binding Site of Cholesterol Esterase and LipaseGialih Lin, Chuen-Tzwu Shieh, Hong-Chi Ho · 1999 · Biochemistry
- Acetylcholinesterase promotes regeneration of neurites in cultured adult neurons of AplysiaMalathi Srivatsan, Bertram Peretz · 1997 · Neuroscience
- Merged Tacrine-Based, Multitarget-Directed Acetylcholinesterase Inhibitors 2015–Present: Synthesis and Biological ActivityTodd J. Eckroat, Danielle L. Manross, Seth C. Cowan · 2020 · International Journal of Molecular Sciences
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- Cholinesterase sensor based on glassy carbon electrode modified with Ag nanoparticles decorated with macrocyclic ligandsGennady A. Evtugyn, Шамагсумова Резеда Вакифовна, Падня Павел Леонидович, Ivan I. Stoikov, Igor S. Antipin · 2014 · Talanta
- Synthesis and bioactivity of linear oligomers related to polymeric alkylpyridinium metabolites from the Mediterranean sponge Reniera saraiInes Mancini, Adriana Sicurelli, Graziano Guella · 2004 · Organic & Biomolecular Chemistry
- The impact of land use intensity and associated pesticide applications on fitness and enzymatic activity in reptiles—A field studyValentin Mingo, Stefan Lötters, Norman Wagner · 2017 · The Science of The Total Environment
- Enzyme-linked immunosorbent assay for detection of organophosphorylated butyrylcholinesterase: A biomarker of exposure to organophosphate agentsLimin Wang, Dan Du, Donglai Lu · 2011 · Analytica Chimica Acta
- From Pyridinium-based to Centrally Active Acetylcholinesterase ReactivatorsJan Korábečný, Ondřej Soukup, Rafael Doležal et al. · 2014 · Mini-Reviews in Medicinal Chemistry
- The Deacylation Step of Acetylcholinesterase: Computer Simulation StudiesPeter Vagedes, Björn Rabenstein, Johan Åqvist, John Marelius, Ernst‐Walter Knapp · 2000 · Journal of the American Chemical Society
- Etching of Single-MnO2-Coated Gold Nanoparticles for the Colorimetric Detection of Organophosphorus PesticidesShumin Wang, Zhongju Ye, Xin Wang · 2019 · ACS Applied Nano Materials
- Ligand exclusion on acetylcholinesteraseHarvey Alan Berman, Kathryn Leonard · 1990 · Biochemistry
- Choosing the right chromatographic support in making a new acetylcholinesterase-micro-immobilised enzyme reactor for drug discoveryManuela Bartolini, Vanni Cavrini, Vincenza Andrisano · 2004 · Journal of Chromatography A
- Highly Sensitive Assay for Acetylcholinesterase Activity and Inhibition Based on a Specifically Reactive Photonic NanostructureTian Tian, Xuesong Li, Jiecheng Cui · 2014 · ACS Applied Materials & Interfaces
- Polarization-Modulated FT-IR Spectroscopy Studies of Acetylcholinesterase Secondary Structure at the Air−Water InterfaceLeila Dziri, Bernard Desbat, Roger M. Leblanc · 1999 · Journal of the American Chemical Society
- New potential AChE inhibitor candidatesA.A.N. de Paula, João B. L. Martins, Maria Lucília dos Santos, Luciana de Camargo Nascente, Luiz Antônio Soares Romeiro, T.F.M.A. Areas, Karen Senae Takehara Vieira, N.F. Gambôa, Newton Gonçalves Castro, Ricardo Gargano · 2009 · European Journal of Medicinal Chemistry
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- Cloning and Expression of Acetylcholinesterase from ElectrophorusStéphanie Simon, Jean Massoulié · 1997 · Journal of Biological Chemistry
- Antioxidant and antiacetylcholinesterase activities of Sorbus torminalis (L.) Crantz (wild service tree) fruitsGozde Hasbal‐Celikok, Tugba Yilmaz‐Ozden, Ayşe Can · 2014 · Journal of Food and Drug Analysis
- Enzyme-Operated DNA-Based NanodevicesErica Del Grosso, Anne‐Marie Dallaire, Alexis Vallée‐Bélisle · 2015 · Nano Letters
- Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvumEjaz Ahmed, Sarfraz Ahmad Nawaz, Abdul Majeed Malik · 2005 · Bioorganic & Medicinal Chemistry Letters
- Origins and Diversity of the Aging Reaction in Phosphonate Adducts of Serine Hydrolase Enzymes: What Characteristics of the Active Site do They Probe?Ákos Bencsura, Istvan J. Enyedy, Ildiko M. Kovach · 1995 · Biochemistry
- Arthropod venoms: Biochemistry, ecology and evolutionR. R. Senji Laxme, Vivek Suranse, Kartik Sunagar · 2018 · Toxicon
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- Influence of the Acetylcholinesterase Active Site Protonation on Omega Loop and Active Site DynamicsJiří Wiesner, Zdeněk Křı́ž, Kamil Kuča, Daniel Jun, Jaroslav Koča · 2010 · Journal of Biomolecular Structure and Dynamics
- Acetylcholinesterase and Aβ Aggregation Inhibition by Heterometallic Ruthenium(II)–Platinum(II) Polypyridyl ComplexesNilima A. Vyas, Sushma B. Singh, Avinash S. Kumbhar, Dnyanesh S. Ranade, Gulshan R. Walke, Prasad Padmakar Kulkarni, Vinod Jani, Uddhavesh Sonavane, Rajendra Joshi, Srikanth Rapole · 2018 · Inorganic Chemistry
- Insect Acetylcholinesterase as a Target for Effective and Environmentally Safe InsecticidesYuan‐Ping Pang · 2014 · Advances in insect physiology
- Tetrahedral intermediate formation in the acylation step of acetylcholinesterases. A combined quantum chemical and molecular mechanical modelVladislav Vasilyev · 1994 · Journal of Molecular Structure THEOCHEM
- Monitoring the Activity and Inhibition of Cholinesterase Enzymes using Single-Walled Carbon Nanotube Fluorescent SensorsDan Loewenthal, Dotan Kamber, Gili Bisker · 2022 · Analytical Chemistry
- Colorimetric Nanozyme Sensor Array Based on Metal Nanoparticle-Decorated CNTs for Quantification of Pesticides in Real Water and Soil SamplesManish Kumar, Navneet Kaur, Narinder Singh · 2024 · ACS Sustainable Chemistry & Engineering
- Oxidative desorption of thiocholine assembled on core–shell Fe3O4/AuNPs magnetic nanocomposites for highly sensitive determination of acetylcholinesterase activity: An exposure biomarker of organophosphatesDan Du, Yuan Tao, Weiying Zhang · 2011 · Biosensors and Bioelectronics
- Rapid-releasing of HI-6 via brain-targeted mesoporous silica nanoparticles for nerve agent detoxificationJun Yang, Lixue Fan, Feijian Wang · 2015 · Nanoscale
- Planarian cholinesterase: in vitro characterization of an evolutionarily ancient enzyme to study organophosphorus pesticide toxicity and reactivationDanielle Ireland, Hideto Hirokawa, Limin Zhang · 2016 · Archives of Toxicology
- Counteracting poisoning with chemical warfare nerve agentsNikolina Maček Hrvat, Zrinka Kovarik · 2020 · Archives of Industrial Hygiene and Toxicology
- Synthesis and Characterization of Photolabile Choline Precursors as Reversible Inhibitors of Cholinesterases: Release of Choline in the Microsecond Time RangeLing Peng, Maurice Ph. Goeldner · 1996 · The Journal of Organic Chemistry
- Anionic site interactions in human butyrylcholinesterase disrupted by two single point mutations.L. F. Neville, Averell L. Gnatt, R Padan, Shlomo Seidman, Hermona Soreq · 1990 · Journal of Biological Chemistry
- Phosphonylation Mechanisms of Sarin and Acetylcholinesterase: A Model DFT StudyJing Wang, Jiande Gu, Jerzy Leszczyński · 2006 · The Journal of Physical Chemistry B
- Hierarchical host–guest assemblies formed on dodecaborate-coated gold nanoparticlesKhaleel I. Assaf, Andreas Hennig, Shu Peng · 2017 · Chemical Communications
- Transition metal complexes as imaging or therapeutic agents for neurodegenerative diseasesDik‐Lung Ma, Chun Wu, Guodong Li, Tsan-Ling Yung, Chung‐Hang Leung · 2020 · Journal of Materials Chemistry B
- Prefrontal Cortex-Driven Dopamine Signals in the Striatum Show Unique Spatial and Pharmacological PropertiesMartín F. Adrover, Jung Hoon Shin, César Quiroz, Sergi Ferré, Julia C. Lemos, Veronica A. Alvarez · 2020 · Journal of Neuroscience
- Role of ionic interactions in cholinesterase catalysisVello Tõugu, Tönu Kesvatera · 1996 · Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
- Chemical modification of Torpedo acetylcholinesterase by disulfides: appearance of a "molten globule" stateElena A. Dolginova, Esther Roth, Israel Silman, Lev M. Weiner · 1992 · Biochemistry
- New Triterpenoid Alkaloid Cholinesterase Inhibitors from Buxus hyrcanaMuhammad Iqbal Choudhary, Salma Shahnaz, Shehnaz Parveen, Asaad Khalid, Seyed Abdulmajid Ayatollahi, Atta‐ur Rahman, Masood Parvez · 2003 · Journal of Natural Products
- A polyaniline–zeolite nanocomposite material based acetylcholinesterase biosensor for the sensitive detection of acetylcholine and organophosphatesBalwinder Kaur, Rajendra Srivastava · 2015 · New Journal of Chemistry
- Cholinesterase activity as biomarker of neurotoxicity: utility in the assessment of aquatic environment contaminationJamel Jebali, Sana Ben Khedher, Marwa Sabbagh · 2013 · Revista de Gestão Costeira Integrada
- Nanoparticle-based immunosensor with apoferritin templated metallic phosphate label for quantification of phosphorylated acetylcholinesteraseDan Du, Aiqiong Chen, Yunying Xie · 2011 · Biosensors and Bioelectronics
- Gorge Motions of Acetylcholinesterase Revealed by Microsecond Molecular Dynamics SimulationsShanmei Cheng, Wanling Song, Xiaojing Yuan · 2017 · Scientific Reports
- A Cationic Surfactant-Decorated Liquid Crystal-Based Aptasensor for Label-Free Detection of Malathion Pesticides in Environmental SamplesDuy Khiem Nguyen, Chang‐Hyun Jang · 2021 · Biosensors
- Organophosphosphate resistance‐related mutations in the acetylcholinesterase gene of TephritidaeEvdoxia G. Kakani, Kostas D. Mathiopoulos · 2008 · Journal of Applied Entomology
- Use of a `caged' analogue to study the traffic of choline within acetylcholinesterase by kinetic crystallographyJacques‐Philippe Colletier, Antoine Royant, Alexandre Specht et al. · 2007 · Acta Crystallographica Section D Biological Crystallography
- Ultra-thin bimetallic alloy nanowires with porous architecture/monolayer MoS2 nanosheet as a highly sensitive platform for the electrochemical assay of hazardous omethoate pollutantDandan Song, Qian Li, Xiong Lu, Yanshan Li, Yan Li, Yuanzhe Wang, Faming Gao · 2018 · Journal of Hazardous Materials
- Dopamine-functionalized upconversion nanoparticles as fluorescent sensors for organophosphorus pesticide analysisMengli Liu, Junyi Wei, Yao Wang · 2018 · Talanta
- Mechanisms of Toxicity of 3-Alkylpyridinium Polymers from Marine Sponge Reniera saraiTom Turk, Robert Frangež, Kristina Sepčić · 2007 · Marine Drugs
- Electrooptical measurements demonstrate a large permanent dipole moment associated with acetylcholinesteraseD. Porschke, Christophe Créminon, Xavier Cousin · 1996 · Biophysical Journal
- Development of a carbon quantum dot-based sensor for the detection of acetylcholinesterase and the organophosphate pesticideNiloofar Mahmoudi, Fataneh Fatemi, Moones Rahmandoust, Fateme Mirzajani, Seyed Omid Ranaei Siadat · 2023 · Heliyon
- Fish Cholinesterases as Biomarkers of Sublethal Effects of Organophosphorus and Carbamates in Tissues of Labeo RohitaGhazala, Shahid Mahboob, L. Ahmad · 2013 · Journal of Biochemical and Molecular Toxicology
- Competitive Inhibition Mechanism of Acetylcholinesterase without Catalytic Active Site Interaction: Study on Functionalized C60Nanoparticles via in Vitro and in Silico AssaysYanyan Liu, Bing Yan, David Alan Winkler · 2017 · ACS Applied Materials & Interfaces
- Study of Electrochemical Oxidation and Quantification of the Pesticide Pirimicarb Using a Boron-Doped Diamond ElectrodeThiago Matheus Guimarães Selva, William Reis de Araujo, Raphael Prata Bacil · 2017 · Electrochimica Acta
- In-silico and in-vitro evaluation of human acetylcholinesterase inhibition by organophosphatesAnuj Ranjan, Abhishek Chauhan, Tanu Jindal · 2017 · Environmental Toxicology and Pharmacology
- Ultrahigh-Throughput Directed Evolution of a Metal-Free α/β-Hydrolase with a Cys-His-Asp Triad into an Efficient PhosphotriesteraseSchnettler, J. David, Klein, Oskar James, Kaminski, Tomasz S., Colin, Pierre-Yves, Hollfelder, Florian · 2023 · Journal of the American Chemical Society
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- Acetylcholinesterase: Structure and use as a model for specific cation-protein interactionsJoel L. Sussman, Israel Silman · 1992 · Current Biology
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- Serum proteomics reveal APOE-ε4-dependent and APOE-ε4-independent protein signatures in Alzheimer’s diseaseElisabet A. Frick, Valur Emilsson, Þórarinn Jónmundsson, Anna E. Steindorsdottir, Erik C. B. Johnson, Raquel Puerta, Eric B. Dammer, Anantharaman Shantaraman, Amanda C. Cano, Merçé Boada et al. · 2024 · Nature Aging
- Cholinesterases inhibition and molecular modeling studies of piperidyl-thienyl and 2-pyrazoline derivatives of chalconesMuhammad Shakil Shah, Shafi Ullah Khan, Syeda Abida Ejaz, Saifullah Afridi, Syed Umar Farooq Rizvi, Muhammad Najam ul Haq, Jamshed Iqbal · 2016 · Biochemical and Biophysical Research Communications
- Nicotinic acetylcholine receptor (nAChR) mediated dopamine release in larval Drosophila melanogasterPoojan Pyakurel, Mimi Shin, B. Jill Venton · 2018 · Neurochemistry International
- 1H NMR based metabolomics approach to study the toxic effects of dichlorvos on goldfish (Carassius auratus)Yan Liu, Ting Chen, Minghui Li, Huadong Xu, Ai‐Qun Jia, Jianfa Zhang, Junsong Wang · 2015 · Chemosphere
- Territrem B, a Tremorgenic Mycotoxin That Inhibits Acetylcholinesterase with a Noncovalent yet Irreversible Binding MechanismJen-Wei Chen, Ying-Ling Luo, Ming‐Jing Hwang · 1999 · Journal of Biological Chemistry
- Peripheral site ligand–oxime conjugates: A novel concept towards reactivation of nerve agent-inhibited human acetylcholinesteraseMartijn Constantijn de Koning, Marloes J.A. Joosen, Daan Noort · 2010 · Bioorganic & Medicinal Chemistry
- Structure of a complex of the potent and specific inhibitor BW284C51 withTorpedo californicaacetylcholinesteraseClifford Eric Felder, Michal Harel, Israel Silman · 2002 · Acta Crystallographica Section D Biological Crystallography
- Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester AdductsÁkos Bencsura, Istvan J. Enyedy, Ildiko M. Kovach · 1996 · Journal of the American Chemical Society
- Current approaches to enhancing oxime reactivator delivery into the brainTereza Kobrlová, Jan Korábečný, Ondřej Soukup · 2019 · Toxicology
- Expression level of heterologous proteins in Pichia pastoris is influenced by flask designF. Villatte, Ayman S. Hussein, Till T. Bachmann · 2001 · Applied Microbiology and Biotechnology
- Benchmarking docking and scoring protocol for the identification of potential acetylcholinesterase inhibitorsZaheer Ul‐Haq, Sobia Ahsan Halim, Reaz Uddin, Jeffry D. Madura · 2010 · Journal of Molecular Graphics and Modelling
- Oxime-Induced Reactivation of Sarin-Inhibited AChE: A Theoretical Mechanisms StudyJing Wang, Jiande Gu, Jerzy Leszczyński · 2007 · The Journal of Physical Chemistry B
- Reversibly Bound and Covalently Attached Ligands Induce Conformational Changes in the Omega Loop, Cys69–Cys96, of Mouse AcetylcholinesteraseJianxin Shi, Aileen E. Boyd, Zoran Radić · 2001 · Journal of Biological Chemistry
- Exploration of the Drosophila Acetylcholinesterase Substrate Activation Site Using a Reversible Inhibitor (Triton X-100) and Mutated EnzymesVéronique Marcel, Sandino Estrada‐Mondaca, Frédéric Magné · 2000 · Journal of Biological Chemistry
- An acetylcholinesterase inhibition biosensor based on a reduced graphene oxide/silver nanocluster/chitosan nanocomposite for detection of organophosphorus pesticidesYanli Zhang, Hongjun Liu, Zhongming Yang · 2015 · Analytical Methods
- Kinetic and physicochemical properties of brain acetylcholinesterase from the peacock bass (Cichla ocellaris) and in vitro effect of pesticides and metal ionsKaline Catiely Campos Silva, Caio Rodrigo Dias Assis, Vagne de Melo Oliveira, Luiz B. Carvalho, Ranilson de Souza Bezerra · 2012 · Aquatic Toxicology
- Long Route or Shortcut? A Molecular Dynamics Study of Traffic of Thiocholine within the Active-Site Gorge of AcetylcholinesteraseYechun Xu, Jacques‐Philippe Colletier, Martin H. Weik · 2010 · Biophysical Journal
- How Is Acetylcholinesterase Phosphonylated by Soman? An Ab Initio QM/MM Molecular Dynamics StudyGulseher Sarah Sirin, Yingkai Zhang · 2014 · The Journal of Physical Chemistry A
- The Dynamics of Ligand Barrier Crossing inside the Acetylcholinesterase GorgeJennifer M. Bui, Richard Humfry Henchman, James Andrew McCammon · 2003 · Biophysical Journal
- Nanosecond Dynamics of the Mouse Acetylcholinesterase Cys69–Cys96 Omega LoopJianxin Shi, Kaihsu Tai, James Andrew McCammon · 2003 · Journal of Biological Chemistry
- Molecular recognition by acetylcholinesterase at the peripheral anionic site: structure–activity relationships for inhibitions by aryl carbamatesGialih Lin, Cheng‐Yue Lai, Wei‐Cheng Liao · 1999 · Bioorganic & Medicinal Chemistry
- Metal-hydroxyls mediate intramolecular proton transfer in heterogeneous O–O bond formationHao Yang, Fusheng Li, Shaoqi Zhan, Yawen Liu, Tianqi Liu, Linqin Wang, Wenlong Li, Mårten S. G. Ahlquist, Sumbal Farid, Rile Ge et al. · 2025 · Nature Chemistry
- Cholinergic Mechanisms in the Cerebral CortexSaak Victor Ovsepian, Valerie B. O’Leary, László Záborszky · 2015 · The Neuroscientist
- Delineation and Decomposition of Energies Involved in Quaternary Ammonium Binding in the Active Site of AcetylcholinesteraseDaniel M. Quinn, Shawn R. Feaster, Haridasan K. Nair · 2000 · Journal of the American Chemical Society
- Discovery of a novel tetrahydroacridine acetylcholinesterase inhibitor through an indexed combinatorial libraryMichael C. Pirrung, Joseph H.-L. Chau, Jrlung Chen · 1995 · Chemistry & Biology
- Synthesis and cholinesterase activity of phenylcarbamates related to Rivastigmine, a therapeutic agent for Alzheimer's diseaseCarlo Mustazza, Anna Borioni, Maria Rosaria Del Giudice, FRANCO GATTA, Rosella Ferretti, Annarita Meneguz, Maria Teresa Volpe, Paola Lorenzini · 2002 · European Journal of Medicinal Chemistry
- Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer'sJaspreet Kaur Dhanjal, Sudhanshu Sharma, Abhinav Grover, Asmita Das · 2015 · Biomedicine & Pharmacotherapy
- Acetylcholinesterase: The “Hub” for Neurodegenerative Diseases and Chemical Weapons ConventionSamir F. de A. Cavalcante, Alessandro B. C. Simas, Marcos C. Barcellos, Victor G. M. de Oliveira, Roberto B. Sousa, Paulo A. M. Cabral, Kamil Kuča, Tanos C. C. França · 2020 · Biomolecules
- Chemically Fueled Self‐Assembly in Biology and ChemistryKrishnendu Das, Luca Gabrielli, Leonard J. Prins · 2021 · Angewandte Chemie
- Transition State Structure and Rate Determination for the Acylation Stage of Acetylcholinesterase Catalyzed Hydrolysis of (Acetylthio)cholineSiobhan Malany, Monali V. Sawai, R. Steven Sikorski · 2000 · Journal of the American Chemical Society