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

• Main Authors: Meriem Khedraoui (Author), Oussama Abchir (Author), Hassan Nour (Author), Imane Yamari (Author), Abdelkbir Errougui (Author), Abdelouahid Samadi (Author), Samir Chtita (Author)
• Format: Book
• Published: MDPI AG, 2024-06-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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 base...