Open access
Oct 2026
Multiscale Computational Prioritization of Chromone-Based Acetylcholinesterase Ligands
Identifying acetylcholinesterase (AChE) ligands for Alzheimer’s disease research requires integrating molecular recognition with pharmacokinetic and safety considerations. Here, four designed chromone derivatives (M1–M4) were investigated to determine how conformational sampling and complementary molecular descriptors...
Oussama Khibech, Bahia Abdelfattah, Mohamed Bouhrim et al.
· International Journal of Mol... · 0 citations