Deciphering the Withania somnifera alkaloids potential for cure of neurodegenerative disease: an in-silico study.

This study investigates the interaction of alkaloids of Withania somnifera with Glyceraldehyde 3-phosphate dehydrogenase (GAPDH), an enzyme implicated in the pathology of various neurodegenerative diseases. Initially, the Withania somnifera phytochemicals were optimised then molecular dockings were performed. The molecular docking results identified key interactions between these alkaloids and active sites of the enzyme.