In silico approach for alpha-amylase inhibitory activity of diosmetin and galangin

Objective: The objective of the current study is to evaluate the ?-amylase inhibitory activity of diosmetin and galangin using in silico docking studies. Methods: In this perspective, diosmetin and galangin were prepared for the docking evaluation. Acarbose, a known ?-amylase inhibitor was used as the standard. In silico docking studies were carried out using recent version of AutoDock 4.2, which has the basic principle of Lamarckian genetic algorithm. Results: The results showed that the selected flavonoids showed binding energy ranging between -6.84 kcal/mol to -5.96 kcal/mol when compared with that of the standard (-1.97 kcal/mol). Inhibition constant (9.73 M to 42.76 M) and intermolecular energy (-8.33 kcal/mol to -7.15 kcal/mol) of the ligands also coincide with the binding energy. Conclusion: Diosmetin and galangin contributed excellent ?-amylase inhibitory activity than the standard because of its structural parameters. These molecular docking analyses of the selected compounds could lead to the further development to find the potent ?-amylase inhibitors for the treatment of diabetes.