Potential mechanism of Zhenwu Decoction acting on heart failure with preserved ejection fraction based on Network pharmacology and molecular docking technology
Objective To explore the mechanism of Zhenwu Decoction in treating heart failure with preserved ejection fraction(HFpEF)based on network pharmacology and molecular docking.Methods TCMSP platform was used to screen the candidate active ingredients of Zhenwu Decoction,compound targets were predicted on the Swisstargetprediction platform,and disease targets of HFpEF were searched in databases such as NCBI Gene,OMIM,DisGenet,GenCards,and PharmgKB.Intersectional targets were taken,and protein-protein interaction and topological analysis were performed using String database and Cytoscape 3.9.1 software to obtain key active ingredients and hub target genes.Gene ontology(GO)and Kyoto Encyclopedia of Genesand Genomes(KEGG)pathway enrichment analysis were conducted on the Metescape platform for common targets.Molecular docking visualization was performed with active ingredients of Zhenwu Decoction as ligands and hub targets as receptors.Results A total of 362 common action targets were identified between Zhenwu Decoction and HFpEF,and 10 hub targets including IL-6,ESR1,TNF,and MMP9 were selected by Cytoscape 3.9.1 software.The GO function and KEGG pathway enrichment analysis yielded 1393 and 171 items,respectively(P＜0.01).Molecular docking results showed that the core compounds had good affinity with hub targets.Conclusion The core effective components in Zhenwu Decoction act on multiple targets,possibly regulating multiple signaling pathways such as phosphatidylinositol 3-kinase/protein kinase B,advanced glycation end products-receptor for advanced glycation endproducts,rat sarcoma(Ras),Ras-homologous protein 1,and mitogen-activated protein kinase to intervene in the development process of HFpEF.This provides a reference for further re-search.
万方数据
维普
