PCOS modulatory activity of tinospora cordifolia leaves ⇓ an insilico approach

The polycystic ovarian syndrome affects women of all age groups is mainly due to hyperinsulinemia and hyperandrogenism. The insulin action in the ovaries is mediated by binding to its receptor namely IRS (Insulin receptor substrate). The present investigation is undertaken to select a suitable antagonistic ligand from the bioactive phyto components of Tinospora cordifolia leaves to inhibit IRS1 and IRS 2 receptors to prevent the binding of insulin and subsequent hyperandrogenism. The phyto ligands used for the study were obtained from the previous literature and the IRS1 and IRS 2 receptor protein structure were retrieved from PDB (protein Data bank). Using the Corina 3D converter the ligand 3D structures were obtained. Molecular docking analysis was performed through Patch dock server to select a suitable ligand based on docking score for the IRS1 and IRS 2 receptor protein. Three ligands namely Berberine, Rumphioside I and Syringin showed better docking score among the ligand selected and their inhibitory activity were analysed by intermolecular interactions using “LIGPLOT” analysis. It can be concluded that these three ligands can be used for the successful treatment of PCOS after proper preclinical and clinical studies.