Molecular docking and molecular dynamics simulation revealed potential compounds in Salvia miltiorrhiza for inhibiting enzymes and receptors in Alzheimer’s disease

Abstract

Alzheimer’s disease is an age-related neurodegenerative disorder that leads to cognitive and functional decline. Potential target proteins for managing Alzheimer’s disease include Acetylcholinesterase (AChE), Butyrylcholinesterase (BuChE), Beta-secretase cleavage enzyme (BACE1) and N-methyl-D-aspartate (NMDA) receptors. In this study, we conducted in silico evaluations of the inhibitory effects of Salvia miltiorrhiza’s compounds on AChE, BuChE, BACE1, and NMDA receptors...