Volume : VIII, Issue : II, February - 2019
Virtual Screening Of Phytochemicals With Anti- Alzheimer Glycogen Synthase Kinase - 3 Beta Activity
Devaprasad Markandeyan, Thangavel Muthusamy, Amruthavarshini Srinivasan, Mariappan Andi, Shiek Ssj Ahmed, Subramaniyan Kannaian
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
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DOI : 10.36106/ijsr
Cite This Article:
VIRTUAL SCREENING OF PHYTOCHEMICALS WITH ANTI- ALZHEIMER GLYCOGEN SYNTHASE KINASE - 3 BETA ACTIVITY, Devaprasad Markandeyan, Thangavel Muthusamy, Amruthavarshini Srinivasan, Mariappan Andi, Shiek SSJ Ahmed, Subramaniyan Kannaian INTERNATIONAL JOURNAL OF SCIENTIFIC RESEARCH : Volume-8 | Issue-2 | February-2019
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VIRTUAL SCREENING OF PHYTOCHEMICALS WITH ANTI- ALZHEIMER GLYCOGEN SYNTHASE KINASE - 3 BETA ACTIVITY, Devaprasad Markandeyan, Thangavel Muthusamy, Amruthavarshini Srinivasan, Mariappan Andi, Shiek SSJ Ahmed, Subramaniyan Kannaian INTERNATIONAL JOURNAL OF SCIENTIFIC RESEARCH : Volume-8 | Issue-2 | February-2019
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