Interaction of Singawalang Leaves (Petiveria alliacea) Compounds as a Reduction of Blood Glucose Levels in Treatment of Type 2 Diabetes Mellitus Disease

Abstract

AMPK-α2 has an important role in controlling glucose homeostasis, carbohydrate, fat, and protein metabolism, so AMPK-α2 plays an important role in the pathophysiology of type 2 diabetes. Therefore, AMPK-α2 is an important therapeutic target in the management of type 2 diabetes. (Petiveria alliacea) is a type of plant in Indonesia and is empirically used by residents to treat diabetes mellitus. The purpose is to examine the interaction and affinity of compounds from singawalang to the AMPK-α2 receptor and its toxicity prediction so that it becomes an alternative treatment for type 2 diabetes mellitus with minimum risk of side effects. The methods of this study are molecular docking simulations and prediction toxicity. The results of the simulation molecular docking of the singawalang isolate compound against the AMPK-α2 receptor obtained the best test ligands which have ΔG -5.16 kcal/mol. While the prediction of toxicity shows that the benzyl 2-hydroxyethyl trisulphide test ligand has the potential to be mutagenic but not carcinogenic. Therefore, it is necessary to modify the structure to be able to provide a lower toxicity effect. The conclusion is that benzyl 2-hydroxyethyl trisulphide is the most potential candidate compound with the highest affinity and low risk of toxicity.