ADMET Prediction and In silico Analysis of Mangostin Derivatives and Sinensetin on Maltase-Glucoamylase Target for Searching Anti-Diabetes Drug Candidates

Abstract

Background: Diabetes mellitus (DM) is a complex chronic disease with hyperglycemia, which is glucose levels above normal whose number of sufferers is increasing. By inhibiting the human maltase-glucoamylase enzyme which is included in the starch-digestion pathway are used to delay glucose production and thus aid in the treatment of type II diabetes. Aims and Methods: To analyze the potential of mangostin derivatives (alpha-mangostin, betamangostin, gamma-mangostin) and sinensetin as anti-diabetes through ADMET prediction and in silico tests against human maltase-glucoamylase targets using the docking method with miglitol was used as a control. Result: The ligands ɑ, β, γ-mangostin and sinensetin have good interactions with macromolecules and form hydrogen bonds also van der Waals on the macromolecule active side of human maltase-glucoamylase. Conclusion: The ADMET of mangostin derivatives (ɑ, β, and γ), and sinensetin can be predicted by the pkCSM online tool, and they showed good affinity on maltase-glucoamylase target compared to standard drugs like miglitol. Key words: Mangostin derivatives, Sinensetin, Molecular docking, Maltase-glucoamylase, Anti-diabetes.