Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors-Reference-Cited by-同舟云学术

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Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

Published:2018-06 Issue: Volume:74 Page:304-326
ISSN:1476-9271
Container-title:Computational Biology and Chemistry
language:en
Short-container-title:Computational Biology and Chemistry

Author:

Daoud Ismail,Melkemi Nadjib,Salah Toufik,Ghalem Said

Funder

University Abou-Bakr Belkaid-Faculty of Science- Department of Chemistry- Laboratory of Natural Substances and Bioactive

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference94 articles.

1. Implementing QM in docking calculations: is it a waste of computational time?;Adeniyi;Drug. Discov. Today,2017

2. Potential acetylcholinesterase inhibitors: molecular docking, molecular dynamics, and in silico prediction;Alessandra;J. Mol. Model.,2017

3. Donepezil–tacrine hybrid related derivatives as new dual binding site inhibitors of AChE;Alonso;Bioorg. Med. Chem.,2005

4. Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods;Aryapour;Comput. Biol. Chem.,2017

5. Extra precision docking, free energy calculation and molecular dynamics studies on glutamic acid derivatives as MurD inhibitors;Azam;Comput. Biol. Chem.,2017

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4. Synthesis and molecular docking study of thiophene-bearing thiourea derivatives as potential acetylcholinesterase, and butyrylcholinesterase inhibitors;Chemical Data Collections;2024-03

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