TY - JOUR
T1 - The interaction of the active compounds of Labisia pumila on RANK–RANKL–OPG system
AU - Noor, Zairin
AU - Kania, Nia
AU - Azharuddin, Azharuddin
AU - Budhiparama, Nicolaas
AU - Nurdiana, Nurdiana
AU - Hidajat, Nucky Nursjamsi
AU - Fatmawati, Fatmawati
AU - Setiawan, Bambang
N1 - Publisher Copyright:
© 2017 The Authors
PY - 2018/2
Y1 - 2018/2
N2 - 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.
AB - 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.
KW - Bone
KW - Fatimah grass
KW - Herbal
KW - Osteoporosis
KW - Remodeling
UR - http://www.scopus.com/inward/record.url?scp=85036647831&partnerID=8YFLogxK
U2 - 10.1016/j.yclnex.2017.09.001
DO - 10.1016/j.yclnex.2017.09.001
M3 - Article
AN - SCOPUS:85036647831
SN - 2352-9393
VL - 17
SP - 23
EP - 27
JO - Clinical Nutrition Experimental
JF - Clinical Nutrition Experimental
ER -