基于网络药理学和分子对接技术探讨炙甘草汤治疗病毒性心肌炎的作用机制

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AbstractObjective:ToexporetheainatiecomponentsotentiatargetsandmechaismsZigancaoDecoctioninteatingial myocarditisusingnetworkpharmacologyandmoleculardockingtechnology.Metods:researchmethodnetworkpharmacology wasusedtoscreentheactivecomponentsandrelated targetsZhigancaoDecoctionthroughdatabasessuchasTraditionalChinese Medicine SystemsPharmacology DatabaseandAnalysislatform(TCMSP),Batman-TCM,CNKl,andPubMed.GeneCards databasewasusedtocollctdiseasetargetsiamyocardisandteintersectiontargetsomponentsanddiseasseained STRINGdatabasewasusedtoobtain theprotein-proteininteraction(PPl)relationship.PPlnetworkandthe"drug-component target"networkwereconsructedbyCytoscape3.9.1RStodiotokitwasusedforenrichmentanalysisgeneontology(GOfunction andKyotoEncyclopediaGenesandGenomes(KEGG)pathwaytoobtainpotentialpathways.Finalythemoleculardckingvifcation themainactivecomponentsandcoretargetswerecarredoutusingAutoDockstwareResults:Atotal163activecomponentsand 917componenttargets ZhigancaoDecoctionwerescreened.rewere831diseasetargetsrelatedtoviralmyocardisand167 intersectingtargets with Zhigancao Decoction.mainactivecomponents included lysine,quercetin,stigmasterol, γ -aminobutyric acid, and β -sitosterol,etcogsuedrotenne)s)Uiogactiedte kinase1(MAP)ndmorcrosisfctoetcetargsredinliddtroseosisptatdd glycationendproductAGE)eceptorforadvancedglyationndroductAGE)ignalingpathayandoterpathways.Toleclar dockingresultshowedthatthefiveainactivecomponentsandcoetargtsallxibieddiferentdockingactityQuercetinsoedthe trongestdockingefect,primarilythroughhydrogenbonding.Conlusion:ZigancaoDecoctioncanplayatherapeuticroleinviral myocarditis through multiple components,multiple targets,and multiple pathways.
Keywordsviral myocarditis; Zhigancao Decoction; network pharmacology; molecular docking
病毒性心肌炎(viralmyocarditis,VMC)是由病毒感染导致的局部或弥漫性心肌急慢性炎症病变,临床症状多表现为发热、恶心呕吐、心悸、气短、乏力、胸闷、胸痛、头晕等1,部分病人因病情进展可出现呼吸困难,演变成慢性心肌炎、扩张型心肌病,严重者还可能导致各种恶性心律失常、心力衰竭甚至猝死,威胁病人生命[2]。(剩余8872字)