Mangosteen Peel (Garcinia mangostana) Compounds as MTNR1B Modulators for Gestational Diabetes: In Silico Study

Setyawati, Putri and Wahjudi, Mariana and Kok, Tjie and Budiarto, Bagus Aji and Kusumawati, Sri Indah (2025) Mangosteen Peel (Garcinia mangostana) Compounds as MTNR1B Modulators for Gestational Diabetes: In Silico Study. Mutiara Medika: Jurnal Kedokteran dan Kesehatan, 25 (2). pp. 103-113. ISSN 1411-8033; E-ISSN 2614-0101

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Abstract

This study explored mangostin derivatives (3.6-dimethylmangostin, 6-deoxy-gamma-mangostin, and alpha-mangostin) as potential MTNR1B modulators using in silico approaches, through a combination of ADMET profiling and molecular docking simulations. Among the tested compounds, 3.6-dimethylmangostin stood out as the most promising, exhibiting strong binding affinity toward MTNR1B, comparable to the standard ligand ML-1, along with favorable pharmacokinetic parameters. Compared with clinically used anti-diabetic agents such as metformin or sulfonylureas, which act mainly through different molecular pathways, mangostin derivatives may offer complementary benefits by targeting MTNR1B in addition to their known glucose-lowering and insulin-sensitizing effects. In contrast, although 6-deoxy-gamma-mangostin showed the most optimal pharmacokinetic parameters, its interaction with the target receptor was the weakest. These results suggest that 3.6-dimethylmangostin holds significant potential for further exploration in in vitro and in vivo studies aimed at confirming its therapeutic relevance in the treatment of GDM.

Item Type:	Article
Uncontrolled Keywords:	gestational diabetes mellitus; mangostin; mtnr1b modulators; ADMET; molecular docking
Subjects:	T Technology > T Technology (General)
Divisions:	Faculty of Technobiology > Department of Biology
Depositing User:	Ester Sri W. 196039
Date Deposited:	13 Oct 2025 05:02
Last Modified:	13 Oct 2025 05:02
URI:	http://repository.ubaya.ac.id/id/eprint/49708

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