Exploration of the Mechanism of Xinkeshu Tablets for Treating Heart Failure with Preserved Ejection Fraction Based on Network Pharmacology and Molecular Docking Technology
LUO Yalan
LI Bin
JIA Junjie
XING Yakun
HAN Xinlong
SONG Simian
Abstract：Objective:To analyze the potential mechanism of Xinkeshu Tablet for treating heart failure with preserved ejection fraction(HFpEF)based on network pharmacology and molecular docking technology.Methods:The components and targets of the five herbs in Xinkeshu Tablet were obtained by searching the the traditional Chinese medicine(TCM)system pharmacology database(TCMSP)database.The relevant targets of HEpEF were screened using the GeneCards,online human Mendelian genetic database(OMIM)and DrugBank database,and therapeutic target database(TTD)databases.Venn analysis was conducted on the HEPEF-related targets and drug targets to screen the common targets of them.Cyoscape 3.10.1 software was used to construct a"herb-compound-target-disease"network,and the STRING platform was employed to build a protein-protein interaction(PPI)network.Finally,DAVID database were used for Gene Ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the common targets.Molecular docking validation was performed using AutoDock Vina software to assess the binding affinity between core targets and active components.Results:Network pharmacology analysis revealed that Xinkeshu Tablet contains 96 active components,with 224 common targets.The enrichment results of GO and KEGG showed that Xinkeshu Tablet's intervention in HFpEF primarily involves pathways such as cancer pathways,lipids and atherosclerosis,advanced glycation end products and their receptors(AGE-RAGE)signaling pathways in diabetic complications,and phosphatidylinositol 3-kinase(PI3K)-protein kinase B(AKT)signaling pathways,fluid shear stress and atherosclerosis,endocrine resistance,tumor necrosis factor(TNF)signaling pathways.Molecular docking confirmed strong binding affinity between the core active components of Xinkeshu Tablet and the key targets of HFpEF.Conclusion:Xinkeshu Tablet contains a variety of effective components for HFpEF and intervene in HFpEF through multiple targets and signaling pathways.Among them,Salvia miltiorrhiza(Danshen)is the most prominent drug in Xinkeshu Tablet for the treatment of HFpEF.
Keywords：heart failure with preserved ejection fractionXinkeshu Tabletsnetwork pharmacologymolecular docking
Publication Date：2025-06-10
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：9( 1616-1624 )