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An In Silico Study Based on QSAR and Molecular Docking and Molecular Dynamics Simulation for the Discovery of Novel Potent Inhibitor against AChE

Acetylcholinesterase (AChE) is one of the main drug targets for treating Alzheimer’s disease. This current study relies on multiple molecular modeling approaches to develop new potent inhibitors of AChE. We explored a 2D QSAR study using the statistical method of multiple linear regression based on...

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Autori principali: Meriem Khedraoui, Oussama Abchir, Hassan Nour, Imane Yamari, Abdelkbir Errougui, Abdelouahid Samadi, Samir Chtita
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI AG 2024-06-01
Serie:Pharmaceuticals
Soggetti:
Alzheimer’s disease
acetylcholinesterase
inhibitors
QSAR
drug design
MLR
Accesso online:https://www.mdpi.com/1424-8247/17/7/830
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