Identification of phytochemicals from tinospora cordifolia using anti ageing specific receptor

Abstract

Tinospora cordifolia, a well-known medicinal shrub, belonging to the family Menispermaceae is widely utilized for the treatment of various diseases. According to ancient ayurvedic literature, Tinospora cordifolia is found to show anti-ageing effects. In the current study, detailed phytochemical analysis of stem and leaf of Tinospora cordifolia was performed using GCMS and LCMS techniques to ascertain the presence of compounds responsible for its highly beneficial medicinal value. The phytoconstituents were then studied in detail using bioinformatics tools. Thereafter screening of eighty phytoactive constituents of Tinospora cordifolia was done and was prepared as a ligand for further molecular docking analysis. Since Ghrelin receptor has been associated with ageing in Human beings, its molecular docking studies with phytoconstituents from Tinospora cordifolia was performed. The 3D structure of Ghrelin was obtained on the basis of template homology modeling. The docking analysis was performed using Dock software and analysis of the bonds and interactions of the docked complexes was performed subsequently. The various types of interactions and bonds like hydrophobic interactions, Vander Waals interactions, Hydrogen bonds etc. were studied between the target and the ligands. The target ligand interaction was evaluated by comparison of the binding energies as well as the binding mode of interactions. The results revealed that out of eighty selected phytochemicals taken as ligands for this study, twenty-five were found to give significant docking results. Thereafter four phytochemicals that exhibited maximum binding affinity to Ghrelin target were identified on the basis of binding energies, docking scores and hydrogen bonding and were selected as the most suitable ligands showing anti ageing properties. Keywords: Tinospora cordifolia, GCMS, LCMS, Docking, Phytoconstituents newline