In Silico Studies: the Potential of Mangiferin as Antidiabetic Natural Compound

EasyChair Preprint 7200

Abstract

Mangifera indica is a herbal plant that contains the active compound mangiferin, which has traditionally been used as a diabetes treatment. The goal of this research is to determine the bioactivity of mangiferin as an anti-diabetic substance in silico. Several published papers refer to the chemical structure of mangiferin. The protein Dipeptidyl peptidase IV was used as the study's target protein (DPP-4). PyMOL v2.5.2 software is used to remove water molecules, and PyRx 0.8 software is used to perform molecular docking experiments between the compound and the target protein. Based on its affinity value and intermolecular interactions, the results showed that mangiferin had a higher potential as an antidiabetic. The comparative value of DPP-4 protein binding affinity with mangiferin was -8.2, while the comparative value of DPP-4 protein binding affinity with the control compound saxagliptin was -7.1. The toxicity test revealed that mangiferin is not a carcinogen.

Keyphrases: DPP-4, Diabetes Mellitus, Mangifera indica, Mangiferin, in silico

@booklet{EasyChair:7200,
  author    = {Fathurahmi F Rum and Andi Ariyandy and Ika Yustisia and Sulfahri Sulfahri},
  title     = {In Silico Studies: the Potential of Mangiferin as Antidiabetic Natural Compound},
  howpublished = {EasyChair Preprint 7200},
  year      = {EasyChair, 2021}}