openalexScientific Reports2026-07-23
In silico pipeline for GSK 3β inhibitor discovery in Alzheimer’s disease using pharmacophore screening, docking, ADME filtering, and MD validation
Mahmoud S. Elkotamy, Mohamed K. Elgohary, Ahmed S. Alkotami, Mohamed M. Eldesouki, Zainab M. Elsayed, Amr A. Mattar, et al.
Abstract Glycogen synthase kinase-3β (GSK-3β) is a key therapeutic target for Alzheimer’s disease, but identifying safe, brain-penetrant inhibitors remains difficult. This study aimed to discover novel CNS-active GSK-3β inhibitors using a rigorous multi-tier computational pipelin…