MOLECULAR DOCKING STUDIES ON PHYTOCONSTITUENTS OF PLEIOSPERMIUM ALATUM AGAINST Α-Amylase ENZYME

Abstract

The purpose of the study is to evaluate the α-amylase inhibitory activity of active constituents present in Pleiospermium alatum using in silico docking studies. In this perspective, active plant constituent ligands were prepared for the docking evaluation. Acarbose, a known α-amylase inhibitor was used as the standard. In silico docking studies were carried out using recentversion ofGLIDE software v5.5 developed by Schrödinger. These results showed that all the active constituents showed binding energy ranging between -3.6 to -7.7kcal/mol when compared with that of the standard (-6.3kcal/mol).2-Hydroxymethyl-5-(1-hydroxy-1-isopropyl)-2-Cyclohexen-1-on and 1, 2-Benzenedicarboxylic acid, diisooctyl ester contributed excellent α-amylase inhibitory activity because of its structuralpaameters. These molecular docking analyses lead to the further development to identify the potent α-amylase inhibitors for the treatment of diabetes.