Pharmacophore an International Research Journal
Present study reports the potential of α-amylase and α-glucosidase inhibitory activities of phytoconstituents of the plant, Tinospora cordifolia using an in silico structure-based molecular docking approach. In silico screening of seventeen molecules from T. cordifolia was performed and compared with the activity of a known inhibitor acarbose. For this study AutoDock 1.5.6, PyRx and Discovery Studio 4.1 Visualizer softwares were used. Out of the seventeen molecules screened, five: Verbascoside, Hesperetin 7-rhamnoglucoside, 3-(1-Naphthoyl) benzoate, (4-Cinnamoyl-3,5-dihydroxyphenoxy) acetate and 4-(2,4-dimethoxy-3,6-dimethylbenzoyl) oxy-2-hydroxy-3,6-dimethyl benzoate showed lowest binding energies for α-amylase and α-glucosidase. Further, comparative analysis of PDB structures of both enzymes using 3DLigandSite server and Discovery Studio 4.1 Visualizer analysis of docked enzyme structures revealed involvement of almost similar amino acids in ligand binding sites of both the enzymes. This in silico investigation may felicitate the development of α-amylase and α-glucosidase inhibitors from T. cordifolia for treating diabetes.
