In silico of Secondary Metabolite Compounds in Garcinia mangostana as A Therapy for Type 2 Diabetes

Abstract

Garcinia mangostana L. (Clusiaceae) is a tropical tree native to Southeast Asia known as mangosteen which fruits possess a distinctive and pleasant taste that has granted them the epithet of "queen of the fruits".Alpha mangosteen is one of the most abundant chemical compounds in the mangosteen fruit's skin (Garcinia mangostana L). It is known to have many benefits and is high in antioxidant properties, so it can be used as adjuvant therapy for several diseases, such as diabetes mellitus (DM). Many proteins are involved in the pathophysiology of DM. This study aims to explore the binding of alpha mangosteen to various protein receptors involved in the pathophysiology of DM through molecular docking. This research used molecular docking with Autodock Tools software and the Discovery Studio Visualizer Program. The Protein used was obtained from the Protein Data Bank database https://www.rcsb.org, while the 3D structure of α-mangosteen was obtained from PubCheme https://pubchem.ncbi.nlm.nih.gov. Of the six proteins that were carried out by molecular docking on alpha mangosteen, five proteins had a "good" binding category (good solution, RMSD  2), namely AKT serine/threonine kinase 1 (AKT1), peroxisome proliferator-activated receptor gamma (PPARG), albumin (ALB), tumor protein p53 (TP53), growth differentiation factor-15 (GDF-15); and there is one Protein that has an "acceptable" binding category (acceptable solution; RMSD 2-3), namely Signal Transducer and activator of transcription 3 (STAT3). Alpha mangosteen can interact with several proteins involved in the Pathophysiology of DM, as proven through molecular docking analysis and in vitro and in vivo studies. It strengthens the evidence for the potential of alpha mangosteen as an adjuvant therapy in DM.

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