The interaction of the active compounds of Labisia pumila on RANK-RANKL-OPG system

The objective of this research was to analyze the interaction of the active ingredients in Labisia pumila (kaempferol, rutin, apigenin, caffeic acid, pyrogallol and gallic acid) against RANK-RANKL-OPG system in context of osteoporosis. This is an in silico research. The three-dimensional structure in .sdf file is converted to PDB format using the Open Babel 2.3.1 software. The three-dimensional structure model of RCSB RANK-RANKL and RANKL-OPG was obtained from http://www.rcsb.org/pdb. The ligand-protein docking and visualization analysis was carried out with Hex8.0 and Discovery Studio Client 3.5 software. RANK-RANKL or RANKL-OPG complex has the easiest interaction with rutin. In conclusion, flavonoid compounds (rutin, apigenin, kaempferol) more easily interact with RANK-RANKL and RANKL-OPG systems than isofavonoid groups (caffeic acid, pyrogallol, gallic acid). This opens the opportunity for the utilization of flavonoid from L. pumila as antiosteoporosis.