Exploration of the Mechanism of Chunze Decoction in Treating HFpEF Based on Network Pharmacology and Molecular Docking
MO Siqi
YANG Kunyuan
QIN Yalu
ZHUANG Guangtong
Abstract：Objective:To explore the mechanism of Chunze Decoction in treating heart failure with ejection fraction retention based on network pharmacology.Methods:The active ingredients and target information of each traditional Chinese medicine in Chunze Decoction were searched from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)database,and the related targets of HFpEF were searched from GeneCard,OMIM,and Disgenet gene database,and the intersection of common targets of drugs and diseases was obtained.The"TCM-component-target"interaction network was constructed by Cytoscape3.9.1 software,and the protein-protein interaction network was obtained by STRING database,from which the core components of Chunze Decoction and the core action targets of Chunze Decoction in the treatment of HFpEF were obtained.The gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis data were obtained through the Metascape database.Finally,the core components and the target were simulated by molecular docking to verify the possibility of their combination.Results:There were 58 active components and 84 targets in Chunze Decoction.There were 2 807 targets associated with HFpEF and 55 target intersections.The core components of Chunze Decoction were beta-sitosterol and luteolin,and the core targets of Chunze Decoction for HFpEF treatment were protein kinase B(AKT1),tumor necrosis factor(TNF),Caspase 3(CASP3),interleukin(IL)6,and TP53.Enrichment analysis showed that Chunze Decoction affected HFpEF mainly involved lipid and atherosclerotic signaling pathway,cancer signaling pathway,hormone response,and other pathways.Molecular docking indicated that there was better binding possibility between core components and core targets.Conclusion:Chunze Decoction can act on HFpEF through multiple components and multiple targets.The active components of Chunze Decoction,β-sitosterol and luteolin,can regulate AKT1,TNF,CASP3,IL6,and TP53 through multiple pathways,multiple pathways,and multiple targets,and then affect human neurohumoral regulation,cell growth,differentiation,apoptosis,chronic inflammation,and oxidative stress.This may be the mechanism of Chunze Decoction in treating HFpEF.
Keywords：heart failure with preserved ejection fractionChunze Decoctionmolecular mechanismnetwork pharmacologymolecular docking
Publication Date：2025-04-25
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：10( 1137-1146 )