Ex ploration of the Mechanism of Yangxin Oral Liquid for Treating Heart Failure Based on Network Pharmacology and Molecular Docking Technology
ZHANG Gaojing
YUAN Zhiyu
LIU Xincan
SUN Tianfu
Abstract：Objective:The mechanism of Yangxin oral liquid for treating heart failure was studied by network pharmacology and molecular docking technique.Methods:Traditional Chinese medicine(TCM)components and targets were retrieved from the traditional Chinese medicine system pharmacology database(TCMSP),and the target of TCM components was predicted by Swiss Target Prediction and PubChem website.Online human Mendelian genetic database(OMIM),DisGeNE,therapeutic target database(TTD),and DrugBank databases were used to search for heart failure targets.The repetition of the target of Yangxin oral liquid and the target of heart failure was shown in the form of Venn diagram.Protein Interaction(PPI),Gene ontology(GO),Kyoto Encyclopedia of Genes and Genomes(KEGG),and molecular docking were analyzed using STRING,Cytoscape 3.9.1,Pymol,and Autodock tools.Results:There were 55 intersection targets between Yangxin oral liquid and heart failure target,266 active components,and 4 key components of Yangxin oral liquid.GO analysis results showed that the potential biological processes of Yangxin oral liquid for treatment of heart failure included positive regulation of gene expression,negative regulation of gene expression and inflammatory response.The results of KEGG pathway enrichment analysis showed that the anti-heart failure pathway of Yangxin oral liquid mainly involved interleukin-17(IL-17)signaling pathway,advanced glycation end-products(AGE)-AGE receptor(RAGE)signaling pathway,vascular endothelial growth(VEGF)signaling pathway,and so on.Molecular docking results showed that the core target of heart failure showed better affinity with the main components of Yangxin oral liquid,and could effectively and freely bind.Conclusion:Yangxin oral liquid mainly exerts its anti-inflammatory response mechanism through the four key components quercetin,kaempferol,luteolin,and isorhamnetin contained in astragalus and xiangfu,as well as IL-17,AGE-RAGE,and other signaling pathways,and achieves the effect of treating heart failure through the action mechanism of multi-pathway,multi-target,and multi-component.
Keywords：heart failureYangxin oral liquidnetwork pharmacologymolecular docking technology
Publication Date：2025-04-10
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：8( 1001-1008 )