Molecular docking and molecular dynamics simulation approaches for identifying new lead compounds as potential AChE inhibitors-Reference-Cited by-同舟云学术

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Molecular docking and molecular dynamics simulation approaches for identifying new lead compounds as potential AChE inhibitors

Published:2016-09-28 Issue:2 Volume:43 Page:102-109
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Shi Jiancheng¹,Tu Wentong¹,Luo Min¹,Huang Chusheng¹

Affiliation:

1. College of Chemistry and Material Sciences, Guangxi Teachers Education University, Nanning, P.R. China

Funder

Natural Science Foundation of Guangxi Province

The Natural Science Foundation of Guangxi Province

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modelling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2016.1237022

Reference39 articles.

1. Hole filling and library optimization: Application to commercially available fragment libraries

2. Quantitative structure activity relationship analysis of aminoimidazoles as BACE-I inhibitors

3. Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors

4. Molecular drug targets and therapies for Alzheimer’s disease

5. Flavonoids as lead compounds modulating the enzyme targets in Alzheimer’s disease

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In silico modeling for dual inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes in Alzheimer’s disease;Computational Biology and Chemistry;2020-10

2. Kamonolol acetate from Ferula pseudalliacea as AChE inhibitor: in vitro and in silico studies;Structural Chemistry;2020-01-03

3. Towards more effective acetylcholinesterase inhibitors: a comprehensive modelling study based on human acetylcholinesterase protein–drug complex;Journal of Biomolecular Structure and Dynamics;2019-03-11

4. Interaction Mechanism Between AChE and 1, 7-Diazacarbazole Inhibitors Based on Molecular Dynamics Simulations;CHINESE J INORG CHEM;2017

5. Visual Clustering Approach for Docking Results from Vina and AutoDock;Lecture Notes in Computer Science;2017

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