| 1 |
35053900 | Inhibitory Mechanism of Baicalein on Acetylcholinesterase: Inhibitory Interaction, Conformational Change, and Computational Simulation. | 2022 Jan 10 |
2 |
| 2 |
35346014 | Design of multitarget natural products analogs with potential anti-Alzheimer activity. | 2022 Mar 28 |
1 |
| 3 |
35527546 | A Cobalt-Containing Compound as a Stronger Inhibitor than Galantamine to Inhibit Acetylcholinesterase Activity: A New Drug Candidate for Alzheimer's Disease Treatment. | 2022 |
1 |
| 4 |
32520690 | Spiro Heterocyclic Compounds as Potential Anti-Alzheimer Agents (Part 2): Their Metal Chelation Capacity, POM Analyses and DFT Studies. | 2021 |
1 |
| 5 |
33320652 | Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors. | 2021 Jan 25 |
1 |
| 6 |
33557647 | New 3-O-substituted xanthone derivatives as promising acetylcholinesterase inhibitors. | 2021 Dec |
1 |
| 7 |
33583373 | Xanthone: Potential Acetylcholinesterase Inhibitor for Alzheimer's Disease Treatment. | 2021 |
1 |
| 8 |
33923726 | Chromeno[3,4-b]xanthones as First-in-Class AChE and Aβ Aggregation Dual-Inhibitors. | 2021 Apr 16 |
1 |
| 9 |
33979725 | Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view. | 2021 Oct 5 |
1 |
| 10 |
34541552 | Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure. | 2021 |
1 |
| 11 |
34636548 | Comprehensive Interrogation on Acetylcholinesterase Inhibition by Ionic Liquids Using Machine Learning and Molecular Modeling. | 2021 Nov 2 |
1 |
| 12 |
34808043 | Binding Mechanism between Acetylcholinesterase and Drugs Pazopanib and Lapatinib: Biochemical and Biophysical Studies. | 2021 Dec 15 |
1 |
| 13 |
34836871 | Synthesis, characterization, SAR, antioxidant, anti-acetylcholinesterase and anti-butyrylcholinesterase activities of cephradine Schiff bases. | 2021 Sep |
1 |
| 14 |
34907850 | Antioxidant and anticholinesterase activities of amentoflavone isolated from Ouratea fieldingiana (Gardner) Engl. through in vitro and chemical-quantum studies. | 2021 Dec 15 |
1 |
| 15 |
30706763 | Structural basis of fullerene derivatives as novel potent inhibitors of protein acetylcholinesterase without catalytic active site interaction: insight into the inhibitory mechanism through molecular modeling studies. | 2020 Feb |
1 |
| 16 |
32048433 | Aporphinoid Alkaloids Derivatives as Selective Cholinesterases Inhibitors: Biological Evaluation and Docking Study. | 2020 Nov |
1 |
| 17 |
32118214 | Acetylcholinesterase inhibitory activity and neuroprotection in vitro, molecular docking, and improved learning and memory functions of demethylcurcumin in scopolamine-induced amnesia ICR mice. | 2020 Mar 1 |
2 |
| 18 |
29697300 | 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. | 2019 Apr |
1 |
| 19 |
31100281 | Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase. | 2019 Aug 1 |
1 |
| 20 |
31173012 | Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study. | 2019 Jul 7 |
2 |
| 21 |
31271801 | Potent and selective inhibition of human monoamine oxidase-B by 4-dimethylaminochalcone and selected chalcone derivatives. | 2019 Sep 15 |
1 |
| 22 |
31491736 | In vitro tyrosinase, acetylcholinesterase, and HSA evaluation of dioxidovanadium (V) complexes: An experimental and theoretical approach. | 2019 Nov |
1 |
| 23 |
31813875 | Design, synthesis and biological Evaluation of Dual acetyl cholinesterase and beta-secretase inhibitors in treatment for alzheimer's Disease. | 2019 Sep |
1 |
| 24 |
29564983 | Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors. | 2018 |
1 |
| 25 |
29966870 | Design and synthesis of donepezil analogues as dual AChE and BACE-1 inhibitors. | 2018 Oct |
1 |
| 26 |
29980922 | Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies. | 2018 Jul |
1 |
| 27 |
27410776 | Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease. | 2017 Jun |
1 |
| 28 |
28406297 | Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations. | 2017 Apr 24 |
1 |
| 29 |
28495556 | Synthesis, crystal structure determination, biological screening and docking studies of N1-substituted derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases. | 2017 Jun |
1 |
| 30 |
28629119 | Cholinesterase Inhibitory Activities of Adamantyl-Based Derivatives and Their Molecular Docking Studies. | 2017 Jun 17 |
1 |
| 31 |
26833077 | Efficient Synthesis and Discovery of Schiff Bases as Potent Cholinesterase Inhibitors. | 2016 |
1 |
| 32 |
27602288 | Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking. | 2016 |
1 |
| 33 |
27697060 | Prediction of Anti-Diabetic Drugs as Dual Inhibitors Against Acetylcholinesterase and Beta-Secretase: A Neuroinformatics Study. | 2016 |
1 |
| 34 |
26153025 | Active Acetylcholinesterase Immobilization on a Functionalized Silicon Surface. | 2015 Aug 4 |
1 |
| 35 |
26468911 | Protein-Drug Interactions with Effective Polarization in Polarizable Water: Oxime Unbinding from AChE Gorge. | 2015 Nov 12 |
1 |
| 36 |
26584298 | New Indole Alkaloids from the Bark of Rauvolfia Reflexa and their Cholinesterase Inhibitory Activity. | 2015 |
1 |
| 37 |
24059299 | Molecular interaction of human brain acetylcholinesterase with a natural inhibitor huperzine-B: an enzoinformatics approach. | 2014 Apr |
1 |
| 38 |
24059300 | Prediction of comparative inhibition efficiency for a novel natural ligand, galangin against human brain acetylcholinesterase, butyrylcholinesterase and 5-lipoxygenase: a neuroinformatics study. | 2014 Apr |
1 |
| 39 |
24059317 | A neuroinformatics study describing molecular interaction of Cisplatin with acetylcholinesterase: a plausible cause for anticancer drug induced neurotoxicity. | 2014 Mar |
2 |
| 40 |
24836068 | Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations. | 2014 Jun 23 |
1 |
| 41 |
25143139 | Inhibition of flavonoids on acetylcholine esterase: binding and structure-activity relationship. | 2014 Oct |
1 |
| 42 |
23348103 | Quantitative structure-activity relationship of organophosphate compounds based on molecular interaction fields descriptors. | 2013 Mar |
2 |
| 43 |
23679855 | Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase. | 2013 Aug 1 |
1 |
| 44 |
23796225 | Molecular docking and QSAR studies: noncovalent interaction between acephate analogous and the receptor site of human acetylcholinesterase. | 2013 Jul 17 |
1 |
| 45 |
23227542 | [Inhibitory effect of icariin on acetylcholinesterase]. | 2012 Sep |
1 |
| 46 |
20839017 | Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitors. | 2011 Jun |
3 |
| 47 |
21215642 | Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage-Preparation, in vitro screening and molecular docking. | 2011 Jan 15 |
1 |
| 48 |
21570330 | Binding conformation prediction between human acetylcholinesterase and cytochrome c using molecular modeling methods. | 2011 Aug |
2 |
| 49 |
20028185 | In silico pharmacophore model for tabun-inhibited acetylcholinesterase reactivators: a study of their stereoelectronic properties. | 2010 Jan |
2 |
| 50 |
20156428 | Reaction profiles of the interaction between sarin and acetylcholinesterase and the S203C mutant: model nucleophiles and QM/MM potential energy surfaces. | 2010 Sep 6 |
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