| scholarly article | Q13442814 |
| P2093 | author name string | Li Gao | |
| Ping Wu | |||
| Dongmei Wang | |||
| Song Wu | |||
| Chao Li | |||
| Ai-Lin Liu | |||
| Guan-Hua Du | |||
| Jiansong Fang | |||
| Ranyao Yang | |||
| P2860 | cites work | Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase | Q24561371 |
| A new and rapid colorimetric determination of acetylcholinesterase activity | Q26778487 | ||
| Cholinesterase inhibitors for Alzheimer's disease | Q80254620 | ||
| The molecular basis for the inhibition of human cytochrome P450 1A2 by oroxylin and wogonin | Q83195004 | ||
| Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps | Q84711500 | ||
| Structural analysis of the inhibition of APRIL by TACI and BCMA through molecular dynamics simulations | Q85589100 | ||
| Design, synthesis, and bioevaluation of benzamides: Novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Aβ aggregation, and β-secretase | Q87414771 | ||
| Conformational flexibility of the acetylcholinesterase tetramer suggested by x-ray crystallography | Q27619980 | ||
| Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II | Q27627732 | ||
| Structures of Human Acetylcholinesterase in Complex with Pharmacologically Important Ligands | Q27682655 | ||
| The Amber biomolecular simulation programs | Q27860745 | ||
| Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein | Q28247386 | ||
| Development and testing of a general amber force field | Q29547642 | ||
| Exploring protein native states and large-scale conformational changes with a modified generalized born model | Q29617088 | ||
| The molecular basis for the selectivity of tadalafil toward phosphodiesterase 5 and 6: a modeling study | Q33356842 | ||
| Long-term donepezil treatment in 565 patients with Alzheimer's disease (AD2000): randomised double-blind trial. | Q33979412 | ||
| Drug development for Alzheimer's disease: where are we now and where are we headed? | Q34166256 | ||
| MM/GBSA binding energy prediction on the PDBbind data set: successes, failures, and directions for further improvement. | Q34523014 | ||
| Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride and related compounds | Q34662287 | ||
| Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine | Q37029685 | ||
| Alzheimer's disease: strategies for disease modification | Q37739810 | ||
| The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations | Q39794961 | ||
| Design, synthesis and biological evaluation of novel dual inhibitors of acetylcholinesterase and beta-secretase | Q39891962 | ||
| Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. | Q40380514 | ||
| The molecular basis for the inhibition of phosphodiesterase-4D by three natural resveratrol analogs. Isolation, molecular docking, molecular dynamics simulations, binding free energy, and bioassay | Q42710213 | ||
| Binding of curcumin with glyoxalase I: Molecular docking, molecular dynamics simulations, and kinetics analysis | Q43195445 | ||
| Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors | Q43200046 | ||
| Studies of chirality effect of 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine on p38alpha by molecular dynamics simulations and free energy calculations | Q43293597 | ||
| Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors | Q43530848 | ||
| Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors | Q43837368 | ||
| Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase | Q44254522 | ||
| Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models | Q45179427 | ||
| Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors | Q45751669 | ||
| New-generation amber united-atom force field | Q46342317 | ||
| Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling | Q46441558 | ||
| Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. | Q46563660 | ||
| Evaluation of short-tether bis-THA AChE inhibitors. A further test of the dual binding site hypothesis | Q48226435 | ||
| A double-blind, placebo-controlled multicenter study of tacrine for Alzheimer's disease. The Tacrine Collaborative Study Group | Q48418557 | ||
| Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds | Q48491553 | ||
| Molecular modeling of p38α mitogen-activated protein kinase inhibitors through 3D-QSAR and molecular dynamics simulations | Q50871116 | ||
| Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations | Q51299884 | ||
| Efficacy of tablet huperzine-A on memory, cognition, and behavior in Alzheimer's disease. | Q52013662 | ||
| Insight into the fundamental interactions between LEDGF binding site inhibitors and integrase combining docking and molecular dynamics simulations | Q52632131 | ||
| Selective inhibition of human acetylcholinesterase by galanthamine in vitro and in vivo | Q53035057 | ||
| Therapies for Alzheimer's disease | Q53287138 | ||
| Searching for the Multi-Target-Directed Ligands against Alzheimer’s disease: Discovery of quinoxaline-based hybrid compounds with AChE, H3R and BACE 1 inhibitory activities | Q53323146 | ||
| Heterodimeric Tacrine-Based Acetylcholinesterase Inhibitors: Investigating Ligand−Peripheral Site Interactions | Q59215340 | ||
| Potent, easily synthesized huperzine A-tacrine hybrid acetylcholinesterase inhibitors | Q59215345 | ||
| Novel and potent tacrine-related hetero- and homobivalent ligands for acetylcholinesterase and butyrylcholinesterase | Q74095682 | ||
| P433 | issue | 6 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | Molecular Docking | Q403004 |
| P304 | page(s) | 430-437 | |
| P577 | publication date | 2014-11-22 | |
| P1433 | published in | Acta Pharmaceutica Sinica B | Q26854022 |
| P1476 | title | Inhibition of acetylcholinesterase by two genistein derivatives: kinetic analysis, molecular docking and molecular dynamics simulation | |
| P478 | volume | 4 |
| Q92566456 | Binding interactions of epididymal protease inhibitor and semenogelin-1: a homology modeling, docking and molecular dynamics simulation study |
| Q50243086 | Combined 3D-QSAR, molecular docking, and molecular dynamics study of tacrine derivatives as potential acetylcholinesterase (AChE) inhibitors of Alzheimer's disease |
| Q93164208 | Computer-aided synthesis of dapsone-phytochemical conjugates against dapsone-resistant Mycobacterium leprae |
| Q36872136 | DL0805-2, a novel indazole derivative, relaxes angiotensin II-induced contractions of rat aortic rings by inhibiting Rho kinase and calcium fluxes |
| Q50229520 | Differential inhibition of human erythrocyte acetylcholinesterase by polyphenols epigallocatechin-3-gallate and resveratrol. Relevance of the membrane-bound form |
| Q89967193 | Discovery of Multitarget-Directed Ligands Against Influenza A Virus From Compound Yizhihao Through a Predictive System for Compound-Protein Interactions |
| Q64090729 | Drug-1,3,4-Thiadiazole Conjugates as Novel Mixed-Type Inhibitors of Acetylcholinesterase: Synthesis, Molecular Docking, Pharmacokinetics, and ADMET Evaluation |
| Q38780311 | Insight into the molecular mechanism of P-glycoprotein mediated drug toxicity induced by bioflavonoids: an integrated computational approach. |
| Q64261276 | Metal based donepezil analogues designed to inhibit human acetylcholinesterase for Alzheimer's disease |
| Q35918929 | Novel Triazole-Quinoline Derivatives as Selective Dual Binding Site Acetylcholinesterase Inhibitors. |
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| Q36404536 | QSAR model for prediction of the therapeutic potency of N-benzylpiperidine derivatives as AChE inhibitors |
| Q51024632 | Structural basis of pesticide detection by enzymatic biosensing: a molecular docking and MD simulation study |
| Q90049833 | Synergistic Effects of Curcumin and Piperine as Potent Acetylcholine and Amyloidogenic Inhibitors With Significant Neuroprotective Activity in SH-SY5Y Cells via Computational Molecular Modeling and in vitro Assay |
| Q55386512 | Synthesis, enzyme inhibitory kinetics mechanism and computational study of N-(4-methoxyphenethyl)-N-(substituted)-4-methylbenzenesulfonamides as novel therapeutic agents for Alzheimer’s disease. |
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