Mechanism of Zhigancao Decoction in the Treatment of Viral Myocarditis Based on Network Pharmacology and Molecular Docking Technology
LIU Lulu
ZHAO Hengli
LI Gaoxi
CAI Meng
Abstract：Objective:To explore the main active components,potential targets,and mechanisms of Zhigancao Decoction in treating viral myocarditis using network pharmacology and molecular docking technology.Methods:The research method of network pharmacology was used to screen the active components and related targets of Zhigancao Decoction through databases such as Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Batman-TCM,CNKI,and PubMed.The GeneCards database was used to collect disease targets of viral myocarditis,and the intersection targets of components and diseases were obtained.The STRING database was used to obtain the protein-protein interaction(PPI)relationship.The PPI network and the"drug-component-target"network were constructed by Cytoscape 3.9.1.The RStodio toolkit was used for enrichment analysis of gene ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway to obtain potential pathways.Finally,the molecular docking verification of the main active components and core targets were carried out using AutoDock software.Results:A total of 163 active components and 917 component targets of Zhigancao Decoction were screened.There were 831 disease targets related to viral myocarditis and 167 intersecting targets with Zhigancao Decoction.The main active components included lysine,quercetin,stigmasterol,γ-aminobutyric acid,and β-sitosterol,etc.,and the core targets included RELA,protein kinase B(AKT1),Caspase-3(CASPS3),JUN,mitogen-activated protein kinase 1(MAPK1),and tumor necrosis factor(TNF),etc.These targets were involved in the lipid and atherosclerosis pathway,the advanced glycation end product(AGE)-receptor for advanced glycation end product(RAGE)signaling pathway,and other pathways.The molecular docking results showed that the five main active components and core targets all exhibited different docking activity.Quercetin showed the strongest docking effect,primarily through hydrogen bonding.Conclusion:Zhigancao Decoction can play a therapeutic role in viral myocarditis through multiple components,multiple targets,and multiple pathways.
Keywords：viral myocarditisZhigancao Decoctionnetwork pharmacologymolecular docking
Publication Date：2025-10-25
Online Publishing Date：2025-11-03(First online date of this platform, not the publication date of the document)
Pages：8( 3059-3066 )