Experimental analysis of isolated compounds of Mango (Mangifera indica L.) Seed Kernel Extract for promoting insulin against diabetes mellitus by using computational analysis

Abstract

Mangifera indica Linn (Family: Anacardiaceae), commonly known as mango widely used in the traditional medicinal system. This study is performed to gain information by molecular docking of seven isolated compounds of M. indica that are responsible for anti-diabetic activity by promoting insulin. Molecular docking was done by Schrodinger, whereas the SwissADME and admetSAR were used for ADME and toxicological prediction. In molecular docking study, Gallic acid (-6.345kcal/mol) showed the highest docking scores where all compounds satisfied Lipinski’s rule of five while without one, all other compounds showed non-toxicological properties. This study evident that isolated compounds possess significant anti-diabetic properties, which might be beneficial in the treatment of diabetes mellitus.