赤茵合剂治疗慢性乙型肝炎作用机制探讨  

Potential Mechanism of ChiYin Mixture in Treating Chronic Hepatitis B:An Analysis based on Network Pharmacology

作　　者：赵芬芬 施卫兵 齐春伟 许文彬[2] 马翠翠[2] 郭锦晨 ZHAO Fenfen;SHI Weibing;QI Chunwei;XU Wenbin;MA Cuicui;GUO Jinchen(Anhui University of traditional Chinese Medicine,Anhui Hefei230012,China;The First Affiliated Hospital of Anhui University of traditional Chinese medicine,Anhui Hefei 230031,China;Key Laboratory of Xin’An Medicine,Ministry of Education,Anhui Hefei230038,China)

机构地区：[1]安徽中医药大学第一附属医院,安徽合肥230012 [2]安徽中医药大学,安徽合肥230031 [3]新安医学教育部重点实验室,安徽合肥230038

出　　处：《中医药临床杂志》2023年第5期961-970,共10页Clinical Journal of Traditional Chinese Medicine

基　　金：长三角名中医工作室建设项目(皖财社[2021]324号);安徽省施卫兵名中医工作室建设项目(安徽省卫健委中发展[2020]10号);第四批全国中医(临床、基础)优秀人才研修项目(国中医药人教发[2017]24号)。

摘　　要：目的:采用网络药理学及分子对接方法探究赤茵合剂治疗慢性乙型肝炎(CHB)的潜在作用机制。方法:在TCMSP、Pubchem和SwissTargetPrediction在线数据库中筛选出赤茵合剂的有效活性成分和相对应的靶点。通过GeneCards、OMIM、DrugBank、TTD及PharmGkb数据库筛选出CHB的靶点,构建“赤茵合剂-有效成分-潜在靶点-CHB”网络图。利用STRING数据库,构建蛋白质与蛋白质之间的相互作用关系网络(PPI),利用Cytoscape3.7.2进行优化及筛选核心靶点,并进行聚类分析。借助Matescape在线平台数据库,分析潜在靶点的GO功能富集和KEGG通路结果。最后将有效成分与核心靶点进行分子对接。结果:赤茵合剂治疗CHB的活性成分152个,包括槲皮素、毛蕊异黄酮、木犀草素、山柰酚、丹参酮ⅡA、芒柄花黄素等;127个核心靶点,包括TP53、AKT1、PTGS2、TNF、IL6、JUN、STAT3、1L1B等;包含466条生物过程、55条细胞组分、107条分子功能。KEGG通路富集分析结果包含了Hepatitis B信号通路、PI3K-Akt信号通路、MAPK信号通路等169条信号通路。分子对接结果显示活性成分与靶点蛋白具有较好的结合性。结论:该研究为进一步的实验研究和临床应用提供了理论依据。Object:To explore the potential mechanism of action of ChiYin mixture in the treatment of chronic hepatitis B(CHB) using network pharmacology and molecular docking.Methods:Based on TCMSP database,Pubchem database and SwissTargetPrediction database,the main active ingredients and supplementary prediction target of ChiYin mixture were selected.The targets related to CHB were obtained through GeneCards,OMIM,DrugBank,TTD,PharmGkb databases.The network of “ChiYin mixture-active ingredients-potential targets-CHB” was constructed by Cytoscape3.7.2 software,protein interaction analysis was performed using STRING database.Cytoscape3.7.2 was employed to analyze the PPI,predict the key targets and carry out the cluster analysis.KEGG signaling pathway and GO bioenrichment analysis was performed on Metascape platform.Finally,molecular docking was conducted for the of the core targets and potential effective components.Results:There were 152 core active components of ChiYin mixture in the treatment of CHB,including quercetin,calycosin,luteolin,kaempferol,tanshinone ⅡA,formononetin.127 core targets,including TP53,AKT1,PTGS2,TNF,IL6,JUN,STAT3,and 1L1B,etc.A total of 466 biological processes,55 cell composition and 107 molecular functions were involved.There were 169 enriched pathways,including PI3KAkt signal pathway,Hepatitis B,MAPK signal pathway and TNF signal pathway,etc.Molecular docking showed that the component and target protein showed good binding properties.Conclusion:This study provides theoretical basis for further experimental study and clinical application.

关 键 词：赤茵合剂 慢性乙型肝炎 作用机制 信号通路 

分 类 号：R285[医药卫生—中药学]