The Mechanism of Jianxin Mixture for the Treatment of Chronic Heart Failure Based on Network Pharmacology and Molecular Docking Technology
FAN Huimin
ZHANG Zeyu
BI Yingfei
Abstract：Objective:To explore the mechanism of Jianxin mixture for treating chronic heart failure based on network pharmacology and molecular docking technology.Methods:TCMSP database was used to search the traditional Chinese medicine components in Jianxin mixture and identify the active ingredient,and the corresponding target proteins were obtained.GeneCards,OMIM,PharmGkb,TTD and DrugBank databases were used to obtain chronic heart failure related proteins.The interaction between drug and disease intersection targets was investigated by STRING database,and core targets were screened by Cytoscape-v3.8.2 software for composition-target topology analysis.The gene ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were performed by Rx64 4.0.2 software.AutoDock Vina software was used to verify the molecular docking between proteins and components.Results:A total of 166 kinds of active ingredients and 231 kinds of potential targets of Chinese medicine were obtained by screening.The core of drug and disease intersection proteins were RAC-α serine/threonine-protein kinase B(AKT1),mitogen-activated protein kinase 1(MAPK1),tumor necrosis factor(TNF).Gene enrichment analysis obtained 2 971 GO function terms and 150 KEGG pathways.The results showed that phosphatidylinositol 3 kinase-protein kinase B(PI3K-AKT)and TNF pathways were closely related to chronic heart failure.Molecular docking showed that the core proteins had good binding ability with the corresponding components.Conclusion:The main active ingredients in Jianxin mixture,such as quercetin,luteolin,kaempferol,tanshinone ⅡA,baicalein andβ-sitosterol,might act on core targets such as AKT1,MAPK1 and TNF,and then regulate PI3K-AKT,TNF and other signaling pathways for the treatment of chronic heart failure.
Keywords：chronic heart failureJianxin mixturenetwork pharmacologymolecular dockingtraditional Chinese medicine
Publication Date：2024-05-16
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：9( 1747-1755 )