Virtual screening of the active components of garcinia mangostana linn. Potentially inhibiting the interaction of advanced glycation end-products and their receptor

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.