Prediction of the mechanism of Yulinzhu in the treatment of premature ovarian failure based on network pharmacology and molecular docking technology
Objective Based on the theory of kidney governing reproduction,through network pharmacology and molecular docking technology,to preliminarily predict the potential targets and effects of Yulinzhu in the treatment of premature ovarian failure,and to provide evidence for further experimental research.Methods TCMSP database was used to screen the effective components and action targets of compound drugs.GeneCards,OMIM,PharmGkb,and DrugBank databases were used to search for POF disease target genes.R language was used to construct common drug disease target genes.Cytoscape software was used to construct a"drug component target disease"network diagram,screen key target genes,and String database was used to conduct PPI protein interaction networks.Enrichment and analysis of Gene Ontology(GO)and Genome Encyclopedia of Genes and Genomes(KEGG)using R language,and docking of compound molecular ligands with target gene protein receptors using AutoDockTools and AutoDockVina.Results A total of 172 effective active ingredients,3 444 drug targets,and 5 642 disease related genes were selected.We obtained 223 common target genes for drugs and diseases,and obtained 6 key target genes.The common target genes participate in biological functions such as cell response to exogenous stimuli,cell response to chemical stress,response to lipopolysaccharide,and cell response to oxidative stress,involving 162 related pathways such as ovarian steroidogenesis,MAPK signaling pathway,TNF signaling pathway and IL-17 signaling pathway.Molecular docking results showed that the core effective components of the drug,such as quercetin,pomelo peel,and licorice chalcone A,have strong binding ability with key targets RELA,TP53,STAT3,FOS,MAPK1 and MAPK3.Conclusion Yulinzhu can treat POF with multiple components,multiple pathways,and multiple targets,providing theoretical basis and research ideas for further research on the mechanism of traditional Chinese medicine treatment of POF.
NETL
NSTL
万方数据
维普
