Molecular Docking Analysis of the Potential of Artocarpin Compounds from Kluwih Leaf Extract (Artocarpus camanis) as Antidiabetic in silico

Abstract

Diabetes mellitus can cause premature death almost worldwide, blindness, heart disease, and kidney failure. Plants of the genus Artocarpus are known to contain phenolic compounds including flavonoids which have antioxidant activity related to antidiabetic activity. Molecular docking is an In Silico method that can be used to model molecular bonds. Docking is done by tethering a ligand to the active site of the receptor . the ligand which has the lowest energy is 32.11 kcal/mol structure. The RMSD value of the native ligand is 0.91 . The results of the validation of the receptor docking method that have been validated are (X = 21.544, Y = -7.083 and Z = 24,225). It can be concluded that the interaction of the compound artocarpin with the alpha glucosidase enzyme from the binding energy of the tested ligand is greater (-1.44 kcal/mol) than the binding energy of the navite ligand (-5.82 kcal/mol)