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

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

Alzheimer's disease (AD) leads to gradual memory loss including other compromised cognitive abilities. Acetylcholinesterase (AChE), an important biochemical enzyme from the cholinesterase (ChE) family, is recognized as primary pharmacological target for treating AD. Currently marketed drugs for...

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Bibliographic Details
Main Authors: Bikram Saha, Agnidipta Das, Kailash Jangid, Amit Kumar, Vinod Kumar, Vikas Jaitak
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Current Research in Structural Biology
Subjects:
Alzheimer's disease
Coumarin
Acetylcholine esterase
Pharmacophore
3D-QSAR
Online Access:http://www.sciencedirect.com/science/article/pii/S2665928X24000011

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http://www.sciencedirect.com/science/article/pii/S2665928X24000011

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