In Silico Study on Testing Antidiabetic Compounds Candidate from Azaphilone Monascus sp.

Abstract

Monascus sp. can be used as an ingredient in rice fermentation to produce red rice, called Angkak. In Asia, Angkak is used as traditional medicine and food containing bioactive compounds, one of which is monakolin that has the potential to be a nutraceutical. Monascus sp. produces five main pigments: red (monascorubramin, rubropunktamin), orange (monascorubrin, rubropunktatin), and yellow (monaskin, ankaflavin) which have biological activity. In subsequent developments, many new pigments were found which derivatives of the main pigments Monascus sp. are, but information regarding their biological effects is still very limited. The purpose of this study was to determine the pigment derivative compounds of Monascus sp. as a candidate compound for antidiabetic drugs. This study used 57 pigment derivative compounds Monascus sp. which is done In silico. 2GPA protein (Glycogen Phosphorylase) is used as an antidiabetic receptor. The software used in this research includes ChemDraw, Marvin Sketch, Molegro Molecular Viewer, Biovia Discovery Studio, and Autodock. The ADME study was conducted using PreADMET web-based software. The results of the drug scan test on the MPs4 isolate compound have a value that meets the requirements in all parameters such as molecular weight, proton donor, proton acceptor, Log p and molar refractory. The ADME test results on the MPs4 Isolate compound have a value that meets the requirements in all parameters of Caco2, HIA (Human Intestinal Absorption), and in PPB (Protein Plasma Binding). The results of the docking, the Isolate MPs4 compound are the best compounds and meet the requirements because they have smaller binding affinity than natural ligands and comparison ligands (Glibenclamide). The results of this study, MPs4 isolate can be used as a candidate for new antidiabetic drugs, but still requires further research, including In vitro and In vivo tests.