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

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Items 301–400 of 1,000

1. A putative kinetic model for substrate metabolisation by Drosophila acetylcholinesterase
   Jure Stojan, Véronique Marcel, Sandino Estrada‐Mondaca, A. Klaébé, Patrick Masson, Didier D Fournier · 1998 · FEBS Letters
2. Electrostatic steering of substrate to acetylcholinesterase: Analysis of field fluctuations
   Stanislaw T. Wlodek, Tongye Shen, James Andrew McCammon · 2000 · Biopolymers
3. General occurrence of binding to acetylcholinesterase-substrate complex in noncompetitive inhibition and in inhibition by substrate
   Saul Gerald Cohen, S. Bano Chishti, Dorothy A. Beli · 1991 · Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
4. Acetyl and butyryl cholinesterase inhibitory sesquiterpene lactones from Amberboa ramosa
   Ibrahim, Muhammad, Farooq, Tahir, Hussain, Nusrat, Hussain, Amjad, Gulzar, Tahsin, Hussain, Iqbal, Akash, Muhammad Sajid Hamid, Rehmani, Fouzia Sultana · 2013 · Chemistry Central Journal
5. One-step green synthesis of colloidal gold nano particles: A potential electrocatalyst towards high sensitive electrochemical detection of methyl parathion in food samples
   Paramasivam Balasubramanian, T.S.T. Balamurugan, Shen‐Ming Chen · 2018 · Journal of the Taiwan Institute of Chemical Engineers
6. Erythrocyte acetylcholinesterase as biomarker of pesticide exposure: new and forgotten insights
   Caio Rodrigo Dias Assis, Amanda Guedes Linhares, Mariana Paola Cabrera, Vagne de Melo Oliveira, Kaline C. C. Silva, Marina Marcuschi, Elba Verônica Matoso Maciel de Carvalho, Ranilson de Souza Bezerra, Luiz B. Carvalho · 2018 · Environmental Science and Pollution Research
7. A Comprehensive Understanding of Enzymatic Degradation of the G-Type Nerve Agent by Phosphotriesterase: Revised Role of Water Molecules and Rate-Limiting Product Release
   Fangfang Fan, Yongchao Zheng, Yuwei Zhang · 2019 · ACS Catalysis
8. The Immunomodulation of Acetylcholinesterase in Zhikong Scallop Chlamys farreri
   Xiaowei Shi, Zhi Zhou, Lingling Wang · 2012 · PLoS ONE
9. Association of Acetylcholinesterase with the cell surface
   Nibaldo C. Inestrosa, Alejandra Perelman · 1990 · The Journal of Membrane Biology
10. Drug and pro-drug substrates and pseudo-substrates of human butyrylcholinesterase
    Patrick Masson, Zukhra M. Shaihutdinova, Oksana Lockridge · 2023 · Biochemical Pharmacology
11. Mechanisms of Biological Effects of Ionic Liquids: From Single Cells to Multicellular Organisms
    Ksenia S. Egorova, А. В. Кибардин, Alexandra V. Posvyatenko, Valentine P. Ananikov · 2024 · Chemical Reviews
12. Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study
    Shibaji K. Ghosh, Kalyanashis Jana, Bishwajit Ganguly · 2019 · Physical Chemistry Chemical Physics
13. Hypersensitive and selective biosensing based on microfiber interferometry and molecular imprinted nanoparticles
    Anand Mohan Shrivastav, Gaurav Sharma, Rajan Jha · 2019 · Biosensors and Bioelectronics
14. Prediction of AChE-ligand affinity using the umbrella sampling simulation
    Ngô Thị Lan, Khanh Bao Vu, Minh Khue Dao Ngoc, Phuong‐Thao Tran, Đinh Minh Hiệp, Nguyễn Thanh Tùng, Sơn Tùng Ngô · 2019 · Journal of Molecular Graphics and Modelling
15. Visualizing biomolecular electrostatics in virtual reality with UnityMol‐APBS
    Joseph Laureanti, Juan Brandi, Elvis Offor · 2019 · Protein Science
16. A responsive AIE-active fluorescent probe for visualization of acetylcholinesterase activity in vitro and in vivo
    Chunbai Xiang, Musa Dirak, Yuan Luo · 2022 · Materials Chemistry Frontiers
17. Detection of V-type nerve agent degradation products at electrodes modified by PPy/PQQ using CaCl2 as supporting electrolyte
    Olga V. Shulga, Christopher P. Palmer · 2006 · Analytical and Bioanalytical Chemistry
18. The pH Dependence of Dealkylation in Soman-Inhibited Cholinesterases and Their Mutants: Further Evidence for a Push−Pull Mechanism
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19. 19F-NMR spectral evidence that 3-octylthio-1,1,1-trifluoropropan-2-one, a potent inhibitor of insect juvenile hormone esterase, functions as a transition state analog inhibitor of acetylcholinesterase
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20. Brain acetylcholinesterase of jaguar cichlid (Parachromis managuensis): From physicochemical and kinetic properties to its potential as biomarker of pesticides and metal ions
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21. Interactions of Organophosphorus and Carbamate Compounds with Cholinesterases
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22. Catalysis by dienelactone hydrolase: A variation on the protease mechanism
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23. Kinetics of inhibition of acetylcholinesterase in the presence of acetonitrile
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24. [8] Quantitative determination of thiol groups in lowand high molecular weight compounds by electron paramagnetic resonance
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25. Validation of Acetylcholinesterase Inhibition Machine Learning Models for Multiple Species
    Patricia A. Vignaux, Thomas R. Lane, Fabio Urbina, Jacob Gerlach, Ana C. Puhl, Scott H. Snyder, Sean Ekins · 2023 · Chemical Research in Toxicology
26. Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors
    Sawsan M. A. Abuhamdah, Maha Habash, Mutasem O. Taha · 2013 · Journal of Computer-Aided Molecular Design
27. A Sol−Gel-Derived Acetylcholinesterase Microarray for Nanovolume Small-Molecule Screening
    Maria Rowena N. Monton, Julie M. Lebert, Jessamyn R. L. Little · 2010 · Analytical Chemistry
28. Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors
    Fereshteh Shiri, Somayeh Pirhadi, Jahan Bakhsh Ghasemi · 2018 · Journal of Biomolecular Structure and Dynamics
29. Identifying Possible AChE Inhibitors from Drug-like Molecules via Machine Learning and Experimental Studies
    Trung Hai Nguyen, Phuong‐Thao Tran, Ngoc Quynh Anh Pham, Van-Hai Hoang, Đinh Minh Hiệp, Sơn Tùng Ngô · 2022 · ACS Omega
30. A small deletion in the olive fly acetylcholinesterase gene associated with high levels of organophosphate resistance
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31. Brain cholinesterases: III. Future perspectives of AD research and clinical practice
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32. Evidence for a Transient Peroxynitro Acid in the Reaction Catalyzed by Nitronate Monooxygenase with Propionate 3-Nitronate
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33. A direct assay of butyrylcholinesterase activity using a fluorescent substrate
    Seungyoon Kang, Suji Lee, Woojin Yang · 2016 · Organic & Biomolecular Chemistry
34. Simultaneous detection of dual biomarkers from humans exposed to organophosphorus pesticides by combination of immunochromatographic test strip and ellman assay
    Mingming Yang, Yuting Zhao, Limin Wang, Michael Paulsen, Christopher D. Simpson, Fengquan Liu, Dan Du, Yuehe Lin · 2017 · Biosensors and Bioelectronics
35. Conformational plasticity of butyrylcholinesterase as revealed by high pressure experiments
    Patrick Masson, Claude Balny · 1990 · Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology
36. 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 Kandasamy, Chinnasamy Kalaiarasi, P. Kumaradhas · 2016 · Journal of Biomolecular Structure and Dynamics
37. Altered GPI modification of insect AChE improves tolerance to organophosphate insecticides
    Evdoxia G. Kakani, Suzanne Bon, Jean Massoulié, Kostas D. Mathiopoulos · 2010 · Insect Biochemistry and Molecular Biology
38. Conformational Remodeling of Femtomolar Inhibitor−Acetylcholinesterase Complexes in the Crystalline State
    Yves Bourne, Zoran Radić, Palmer Taylor · 2010 · Journal of the American Chemical Society
39. Kinetic analysis of butyrylcholinesterase-catalyzed hydrolysis of acetanilides
    Patrick Masson, Marie-Thérèse Froment, Émilie Gillon, Florian Nachon, Sultan Darvesh, Lawrence M. Schopfer · 2007 · Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
40. Antimicrobial (including antimollicutes), antioxidant and anticholinesterase activities of Brazilian and Spanish marine organisms – evaluation of extracts and pure compounds
    Έverson Miguel Bianco, Jéssica Lenita Krug, Priscila Laiz Zimath, Aline Kroger, Camila Jeriane Paganelli, Ariela Maína Boeder, Larissa dos Santos, Adrielli Tenfen, Suzi Meneses Ribeiro, Kátia Naomi Kuroshima et al. · 2015 · Revista Brasileira de Farmacognosia
41. Elucidating the Origin of the Esterase Activity of Human Serum Albumin Using QM/MM Calculations
    Oraphan Phuangsawai, Supa Hannongbua, M. Paul Gleeson · 2014 · The Journal of Physical Chemistry B
42. Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations
    Maja Katalinić, Goran Šinko, Nikolina Maček Hrvat · 2018 · Toxicology
43. Structural characterization and biological evaluation of uracil-appended benzylic amines as acetylcholinesterase and carbonic anhydrase I and II inhibitors
    Zafer Bulut, Nurgül Abul, Ayşe Halıç Poslu · 2023 · Journal of Molecular Structure
44. Smartphone-assisted detection of monocrotophos pesticide using a portable nano-enabled chromagrid-lightbox system towards point-of-care application
    Narlawar Sagar Shrikrishna, Ajeet Kumar Kaushik, Sonu Gandhi · 2023 · Chemosphere
45. Catalytic Self‐Screening of Cholinesterase Substrates from a Dynamic Combinatorial Thioester Library
    Rikard Larsson, Zhichao Pei, Olof Ramström · 2004 · Angewandte Chemie
46. The Reactant State for Substrate-Activated Turnover of Acetylthiocholine by Butyrylcholinesterase is a Tetrahedral Intermediate
    José R. Tormos, Kenneth L. Wiley, Javier Seravalli · 2005 · Journal of the American Chemical Society
47. Static Laue Diffraction Studies on Acetylcholinesterase
    Raimond B. G. Ravelli, Mia L. Raves, Zhong Min Ren · 1998 · Acta Crystallographica Section D Biological Crystallography
48. Identification of a cocaine esterase in a strain of Pseudomonas maltophilia
    A J Britt, Neil C. Bruce, Christopher Robin Lowe · 1992 · Journal of Bacteriology
49. Successive organophosphate inhibition and oxime reactivation reveals distinct responses of recombinant human cholinesterase variants
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50. Fasciculin inhibition of acetylcholinesterase is prevented by chemical modification of the enzyme at a peripheral site
    Rosario Durán, Carlos Červeñanský, Federico Dajas · 1994 · Biochimica et Biophysica Acta (BBA) - General Subjects
51. Ionic Hydrogen Bonds in Bioenergetics. 4. Interaction Energies of Acetylcholine with Aromatic and Polar Molecules
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52. Structural modifications of the Ω loop in human acetylcholinesterase
    Baruch Velan, Dov Barak, Naomi Ariel · 1996 · FEBS Letters
53. Substrate-binding sites in acetylcholinesterase
    Ferdinand Hucko, Jaak Järv, Christoph Weise · 1991 · Trends in Pharmacological Sciences
54. Changes in the Acetylcholinesterase Enzymatic Activity in Tumor Development and Progression
    Benjamín Pérez-Aguilar, Jens Uwe Marquardt, Encarnación Muñoz‐Delgado, Rosa María López-Durán, María Concepción Gutiérrez‐Ruíz, Luis Enrique Gómez-Quiroz, José Luis Gómez‐Olivares · 2023 · Cancers
55. Dynamic responses of striatal cholinergic interneurons control behavioral flexibility
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56. Applications of biological tools or biomarkers in aquatic biota: A case study of the Tamar estuary, South West England
    Lorna J. Dallas, Awadhesh N. Jha · 2015 · Marine Pollution Bulletin
57. Near-Infrared Fluorescence Probe for Specific Detection of Acetylcholinesterase and Imaging in Live Cells and Zebrafish
    Maxine Mambo Fortibui, Mina Jang, SoHyun Lee · 2022 · ACS Applied Bio Materials
58. Label free impedance based acetylcholinesterase enzymatic biosensors for the detection of acetylcholine
    Jie Chen, Kai‐Chun Lin, Shalini Prasad, David W. Schmidtke · 2023 · Biosensors and Bioelectronics
59. Influence of the Water Structure on the Acetylcholinesterase Efficiency
    Angela S. F. Ramos, Simone Techert · 2005 · Biophysical Journal
60. Structural basis of acetylcholinesterase inhibition by triterpenoidal alkaloids
    Asaad Khalid, M. Kamran Azim, Shehnaz Parveen, Atta‐ur Rahman, Muhammad Iqbal Choudhary · 2005 · Biochemical and Biophysical Research Communications
61. On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach
    Thomas Driant, Florian Nachon, Cyril Ollivier · 2017 · ChemBioChem
62. Acetylcholinesterase: Mechanisms of Covalent Inhibition of Wild-Type and H447I Mutant Determined by Computational Analyses
    Yuhui Cheng A, Xiaolin Cheng, Zoran Radić, James Andrew McCammon · 2007 · Journal of the American Chemical Society
63. Enantiomeric inhibitors of cholesterol esterase and acetylcholinesterase
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64. Surface and Spectroscopic Properties of Acetylcholinesterase Monolayer at the Air/Water Interface
    Leila Dziri, Kalpama Puppala, Roger M. Leblanc · 1997 · Journal of Colloid and Interface Science
65. Comparison of active sites of butyrylcholinesterase and acetylcholinesterase based on inhibition by geometric isomers of benzene‐di‐N‐substituted carbamates
    Shyh‐Ying Chiou, Chuanfu Huang, Mei‐Ting Hwang · 2009 · Journal of Biochemical and Molecular Toxicology
66. Sensitive detection of monocrotophos using a voltametric immunosensor with randomly layered graphene oxide (GO) on fabricated electrode
    Narlawar Sagar Shrikrishna, Pratik Kolhe, Sonu Gandhi · 2024 · Journal of environmental chemical engineering
67. Acetylcholinesterase: Structure, dynamics, and interactions with organophosphorus compounds
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68. Toxic potential of copper-doped ZnO nanoparticles inDrosophila melanogaster(Oregon R)
    Yasir Hasan Siddique, Moazzam Haidari, Wasi Khan, Ambreen Fatima, Smita Jyoti, Saba Khanam, Falaq Naz, Rahul Rahul, Fahad R. Ali, Braj Raj Singh et al. · 2015 · Toxicology Mechanisms and Methods
69. Prospective atom-based 3D-QSAR model prediction, pharmacophore generation, and molecular docking study of carbamate derivatives as dual inhibitors of AChE and MAO-B for Alzheimer’s disease
    Vikas Kumar, Nidhi Chadha, Anjani K. Tiwari, Neeta Sehgal, Anil Kumar Mishra · 2013 · Medicinal Chemistry Research
70. Multi-Target β-Protease Inhibitors from Andrographis paniculata: In Silico and In Vitro Studies
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71. INSILICO METHOD FOR PREDICTION OF MAXIMUM BINDING AFFINITY AND LIGAND – PROTEIN INTERACTION STUDIES ON ALZHEIMER’S DISEASE
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72. Venom on ice: First insights into Antarctic octopus venoms
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73. Ultrafast Spectroscopy and Computational Study of the Photochemistry of Diphenylphosphoryl Azide: Direct Spectroscopic Observation of a Singlet Phosphorylnitrene
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74. Manganese-doped ZnS quantum dots as a phosphorescent probe for use in the bi-enzymatic determination of organophosphorus pesticides
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75. Review on Microbial Carboxylesterase: General Properties and Role in Organophosphate Pesticides Degradation
    Baljinder Singh · 2014 · Biochemistry & molecular biology
76. Oxime-dipeptides as anticholinesterase, reactivator of phosphonylated-serine of AChE catalytic triad: probing the mechanistic insight by MM-GBSA, dynamics simulations and DFT analysis
    Nidhi Chadha, Anjani K. Tiwari, Vikas Kumar, Sangeeta Lal, Marilyn Daisy Milton, Anil Kumar Mishra · 2014 · Journal of Biomolecular Structure and Dynamics
77. Effects of co-exposure to arsenic and dichlorvos on glutathione metabolism, neurological, hepatic variables and tissue histopathology in rats
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78. Insecticidal activity of nanoemulsions of organophosphorus insecticides against cotton leafworm (Spodoptera littoralis) and molecular docking studies
    Mohamed E. I. Badawy, Amany D. Abd-Elnabi, Abdel-Fattah S. A. Saad · 2021 · International Journal of Tropical Insect Science
79. Nucleophilic Reactivation of Sarin-Inhibited Acetylcholinesterase: A Molecular Modeling Study
    Reinaldo Teixeira Delfino, José Daniel Figueroa‐Villar · 2009 · The Journal of Physical Chemistry B
80. Protein–Drug Interactions with Effective Polarization in Polarizable Water: Oxime Unbinding from AChE Gorge
    Arup Kumar Pathak, Tusar Bandyopadhyay · 2015 · The Journal of Physical Chemistry B
81. Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways
    Jakub Rydzewski, Rafał Jakubowski, Wiesław Nowak · 2018 · Journal of Chemical Theory and Computation
82. Gold nanocluster fluorescence as an indicator for optical enzymatic nanobiosensors: choline and acetylcholine determination
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83. Exon 11 of the rat cholesterol esterase gene encodes domains important for intracellular processing and bile salt-modulated activity of the protein
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84. Inhibitors of Different Structure Induce Distinguishing Conformations in the Omega Loop, Cys69–Cys96, of Mouse Acetylcholinesterase
    Jianxin Shi, Zoran Radić, Palmer Taylor · 2002 · Journal of Biological Chemistry
85. Efficacy and safety ofStephania glabra: an alkaloid-rich traditional medicinal plant
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86. Ruthenium(II) polypyridyl complexes with hydrophobic ancillary ligand as Aβ aggregation inhibitors
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87. Acetylcholinesterase and Nicotinic Acetylcholine Receptors in Schistosomes and Other Parasitic Helminths
    Hong You, Chang Liu, Xiaofeng Du, Donald Peter McManus · 2017 · Molecules
88. Copper(II) complex as a turn on fluorescent sensing platform for acetylcholinesterase activity with high sensitivity
    Peng Zhang, Caixia Fu, Yuzhe Xiao · 2019 · Talanta
89. Molecular structure, conformational analysis and charge distribution of pralidoxime: Ab initio and DFT studies
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90. Fixation of the Two Tabun Isomers in Acetylcholinesterase: A QM/MM Study
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91. High activity of human butyrylcholinesterase at low pH in the presence of excess butyrylthiocholine
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92. Strategies in the designing of prodrugs, taking into account the antiviral and anticancer compounds
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93. Differentiation between Acetylcholinesterase and the Organophosphate-inhibited Form Using Antibodies and the Correlation of Antibody Recognition with Reactivation Mechanism and Rate
    Kathleen M. George, Travis Schule, Lisa E. Sandoval · 2003 · Journal of Biological Chemistry
94. Development of a dynamic model for real-time determination of membrane-bound acetylcholinesterase activity upon perfusion with inhibitors and reactivators
    Saskia Eckert, Peter Eyer, Harald Mückter · 2006 · Biochemical Pharmacology
95. Acetylcholinesterase: Molecular Modeling with the Whole Toolkit
    Gerald Henry Lushington, Jian-Xin Guo, Margaret M. Hurley · 2005 · Current Topics in Medicinal Chemistry
96. Probing the Active Center Gorge of Acetylcholinesterase by Fluorophores Linked to Substituted Cysteines
    Aileen E. Boyd, Alan B. Marnett, Lilly M. Wong, Palmer Taylor · 2000 · Journal of Biological Chemistry
97. Nanosecond Dynamics of Acetylcholinesterase Near the Active Center Gorge
    Aileen E. Boyd, Cristina S. Dunlop, Lilly M. Wong · 2004 · Journal of Biological Chemistry
98. Involvement of Deacylation in Activation of Substrate Hydrolysis by Drosophila Acetylcholinesterase
    Laure Brochier, Yannick Pontié, Michele A. Willson · 2001 · Journal of Biological Chemistry
99. Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors
    Bruce L. Finkelstein, Eric A. Benner, Maura C. Hendrixson · 2002 · Bioorganic & Medicinal Chemistry
100. Aspartate‐70 to glycine substitution confers resistance to naturally occurring and synthetic anionic‐site ligands on inovo produced human butyrylcholinesterase
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