Identification of AChE targeted therapeutic compounds for Alzheimer’s disease: an in-silico study with DFT integration

Identification of AChE targeted therapeutic compounds for Alzheimer’s disease: an in-silico study with DFT integration

Abstract Alzheimer’s disease (AD) is a progressive neurodegenerative condition marked by cognitive deterioration and changes in behavior. Acetylcholinesterase (AChE), which hydrolyzes acetylcholine, is a key drug target for treating AD. This research aimed to identify new AChE inhibitors using the I...

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Bibliographic Details
Main Authors: Kalpana Rawat, Disha Tewari, Amisha Bisht, Subhash Chandra, Yewulsew Kebede Tiruneh, Hesham M. Hassan, Ahmed Al-Emam, Emad Rashad Sindi, Al-Anood M. Al-Dies
Format: Article
Language:English
Published: Nature Portfolio 2024-12-01
Series:Scientific Reports
Subjects:
Alzheimer’s disease
Chemical similarity search
Molecular docking
DFT
MD simulation
Online Access:https://doi.org/10.1038/s41598-024-81285-2
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