Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study-Reference-Cited by-同舟云学术

Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study

Published:2024 Issue: Volume:7 Page:100124
ISSN:2665-928X
Container-title:Current Research in Structural Biology
language:en
Short-container-title:Current Research in Structural Biology

Author:

Saha Bikram,Das Agnidipta,Jangid Kailash,Kumar Amit,Kumar Vinod,Jaitak Vikas^ORCID

Funder

University of Central Punjab

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Elsevier BV

Reference44 articles.

1. A review on coumarins as acetylcholinesterase inhibitors for Alzheimer's disease;Anand;Bioorg. Med. Chem.,2012

2. Design, synthesis, characterization of peripherally tetra-pyridine-triazole-substituted phthalocyanines and their inhibitory effects on cholinesterases (AChE/BChE) and carbonic anhydrases (hCA I, II and IX);Arslan;Dalton Trans.,2020

3. Novel coumarin-3-carboxamides bearing N-benzylpiperidine moiety as potent acetylcholinesterase inhibitors;Asadipour;Eur. J. Med. Chem.,2013

4. The cholinergic hypothesis of geriatric memory dysfunction;Bartus;Science,1982

5. Lead profiling lead-and drug-like compounds: the rule-of-five Revolution;Cal;Drug Discov. Today Technol.,2004

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