Virtual Screening of the Active Components of Garcinia mangostana Linn. Potentially Inhibiting the Interaction of Advanced Glycation End-products and their Receptor

Muhammad Ali  Faisal; Ika Kustiyah  Oktaviyanti; Hidayat  Sujuti; Achmad  Rudijanto

doi:10.3889/oamjms.2020.5505

Authors

Muhammad Ali Faisal Doctoral Program of Medical Science, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Ophthalmology, Faculty of Medicine, Lambung Mangkurat University, Banjarmasin, Indonesia
Ika Kustiyah Oktaviyanti Department of Pathology Anatomy, Faculty of Medicine, Lambung Mangkurat University, Banjarmasin, Indonesia
Hidayat Sujuti Department of Biochemistry, Faculty of Medicine, Brawijaya University, Malang, Indonesia
Achmad Rudijanto Department of Internal Medicine, Faculty of Medicine, Brawijaya University, Malang, Indonesia

DOI:

https://doi.org/10.3889/oamjms.2020.5505

Keywords:

Advanced glycation end-products-receptor for advanced glycation end-products inhibitor, Garcinia mangostana L., in silico, Xanthones

Abstract

BACKGROUND: Mangosteen (Garcinia mangostana L.) is a plant that contains various secondary metabolite compounds, one of which is xanthone. Xanthone in mangosteen has a variety of beneficial biological and medical effects, one of which is an antioxidative, anti-inflammatory, and antiapoptotic agent.

AIM: The aim of the study was to perform the selection of any xanthone in mangosteen pericarp that have potentially inhibit the interaction of AGEs and RAGE.

METHODS: The analysis was made in silico by docking method using software Hex 8.0. The docking was done between AGEs-RAGE, also between nine active compounds of G. mangostana with RAGE. The active compounds analyzed here were including α-mangostin, β-mangostin, γ-mangostin, mangostanol, garcinone D, 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone, gartanin, 1-isomangostin, and 3-isomangostin. Further analysis was performed to see the interactions formed between ligands with their receptors using software LigPlus+ and Discovery Studio 4.1.

RESULTS: 1-isomangostin, 3-isomangostin, γ-mangostin, mangostanol, D-garcinone, and gartanin have potentially could inhibit the interaction and activity of imidazole in RAGE through a competitive binding mechanism.

CONCLUSIONS: The inhibition of imidazole-RAGE activity by the mangosteen active components may inhibit the pathobiology of AGEs-RAGE axis.

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