Mechanism of action of Liuwei Dihuang pills in treatment of senile constipation with kidney Yin deficiency:A study based on network pharmacology and molecular docking
Objective:To investigate the mechanism of action of Liuwei Dihuang pills in the treatment of senile constipation with kidney Yin deficiency based on network pharmacology and molecular docking.Methods:TCMSP,TCMID,and SwissTargetPrediction were used to obtain the active components of the drug,and Gene-cards,OMIM,TTD,and DisGeNET databases were used to identify the main targets associated with the disease.The Venn diagram was used to obtain the intersecting targets of Liuwei Dihuang pills and senile constipation.STRING was used to obtain the protein network of intersecting targets and construct a drug-active component-tar-get network and a protein-protein interaction network,and gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed.Molecular docking was performed for the effective constituents of the drug and the core targets.Results:A total of 58 effec-tive constituents and 675 corresponding targets were obtained,and the main effective constituents included querce-tin,hydroxygenkwanin,and alisol B.There were 296 drug-disease intersecting targets,including AKT1,TNF,and IL-6.The GO functional enrichment analysis obtained 3175 terms,and the KEGG pathway enrichment analysis obtained 215 pathways,including the cancer pathway,the PI3K/Akt signaling pathway,proteoglycans in cancer,and the mitogen-activated protein kinase signaling pathway.Molecular docking showed good binding activity be-tween the main effective constituents of the drug and the core target proteins.Conclusion:This study predicts the active components,targets,and signaling pathways of Liuwei Dihuang pills in the treatment of senile constipation with kidney Yin deficiency,suggesting that it has the features of multiple components,targets,and pathways in treatment.
senile constipationkidney Yin deficiencyLiuwei Dihuang pillsmechanism of actionnet-work pharmacologymolecular docking
NETL
NSTL
万方数据
