The Potential Molecular Mechanism of Sijunzi Decoction in Improving Osteoporosis Based on Network Pharmacology and Molecular Docking
Objective To study the potential effective components and molecular mechanism of Sijunzidecoction in improving osteoporosis(OP)by network pharmacology combined with molecular docking technology.Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)was used to find the active components and potential drug targets of Sijunzi decoction.Based on GeneCards,OMIM,DrugBank,PharmGkb,and TTD databases,OP disease targets were obtained.Then,the drug targets and disease-related genes were intersected to construct the"Chinese medicine-active ingredient-target"network,and the protein interaction network analysis was performed on the intersection targets.GO and KEGG analysis were performed using R software.AutoDock Vina was used to verify the molecular docking of key active ingredients and targets.Results A total of 115 active ingredients and 225 drug targets were found in Sijunzi decoction.Quercetin,kaempferol,naringenin,licochalcone a,formononetin and 7-Methoxy-2-methyl isoflavone were the important active components of Sijunzidecoction in the treatment of OP.Important target genes included estrogen receptor 1(ESR1),glucocorticoid receptor(NR3C1),Jun kinase(JUN),signal transducer and activator of transcription 3(STAT3),and mitogen-activated protein kinase 3(MAPK3).Through GO enrichment analysis,1827 biological processes(BP),47 cell composition(CC)and 119 molecular function(MF)items were obtained.KEGG enrichment analysis obtained 160 KEGG signaling pathways,including AGE-RAGE,IL-17,HIF-1,TNF,MAPK,and estrogen signaling pathways.Molecular docking showed that the effective components of Sijunzi decoction combined well with the core target of OP.Conclusion Sijunzi decoction may regulate the expression of ESR1,NR3C1,JUN,STAT3,MAPK3 and other target genes through quercetin,kaempferol and naringenin,and then act on AGE-RAGE,MAPK,NF-κB,IL-17,PI3K-Akt,Wnt and other pathways to play a role in the treatment of OP.
万方数据
维普
