IJSR International Journal of Scientific Research 2277 - 8179 Indian Society for Health and Advanced Research ijsr-8-2-18103 Original Research Paper Virtual Screening Of Phytochemicals With Anti- Alzheimer Glycogen Synthase Kinase - 3 Beta Activity Markandeyan Dr. Amruthavarshini Srinivasan Dr. Shiek SSJ Ahmed Dr. February 2019 8 2 01 02 ABSTRACT

Glycogen synthase kinase– 3 (GSK–3)  belongs to group of serine/threonine protein kinases. GSK–3 exists in human body as  two isoforms alpha and beta . GSK–3 overactivity is implicated in various neurological diseases like Alzheimers disease, multiple sclerosis etc . The primed–substrate binding domain and  kinase domain are the two key functional domains of GSK–3. In this study we have docked  1200 phytochemical structures downloaded  from MAPS database to 1Q41 PDB structure of GSK–3Beta using Schroedinger Glide and Autodock Vina at the active site occupied by Indirubin–3–monoxime  a synthetic GSK–3–Beta inhibitor which is co–crystallized to GSK–3Beta in 1Q41. The docking scores were compared to that of Indirubin–3–monoxime. Various Phytochemical compounds were found to have good docking scores in both docking programmes and may have GSK–3Beta inhibitory potential  . Coumestrol, 6–Desmethylantofine, Canthin –6–one glucoside, and Tubulosine interact with the ASP200  which forms key part of active site, and there by may act as competitive inhibitors