Molecular docking of the active compound Garcinia mangostana on the RANKL/RANK/OPG system

Abstract

This study aims to analyze the molecular docking between the active compounds of the Garcinia mangostana against the RANKL/RANK/OPG system and its potential as an antiosteoporosis. The research protocol includes the search and modeling of protein and ligand structures and their docking. Software used includes OpenBabel, HEX 8.0, Chimera 1.6.2, Discovery Studio 4.1, LigPlot + and LigandScout 3.1. Tovophillin has the most negative interaction energy with RANKL-OPG (-332.8 Kj/mol) and RANKL-RANK (-298.1 Kj/mol). It was concluded that fourteen active compounds of Garcinia mangostana did not interfere with the physiological function of RANKL against RANK. In addition, the active compound will not affect the RANKL-OPG complex. The antiosteoporosis mechanism of Garcinia mangostana does not by inhibiting RANKL-RANK interactions.