基于网络药理学的参芍片/胶囊干预心肌纤维化的潜在机制研究

Potential mechanism of Shenshao Tablets/Capsule for treatment of myocardial fibrosis based on network pharmacology

目的:利用网络药理学技术预测参芍片/胶囊干预心肌纤维化的作用机制。方法:从TCMSP数据库、TCM-MESH数据库、UniProt数据库及Pubchem数据库中收集参芍片/胶囊相关中药的活性成分和作用靶点,构建化合物和靶点相互作用的网络图;通过OMIM数据库、DiGSeE数据库以及TTD数据库收集心肌纤维化的相关靶标;PPI数据库构建参芍片/胶囊和心肌纤维化的交叉靶标,筛选两者互作的核心靶点;采用DAVID 6.8数据库对核心靶点进行Gene Ontology(GO)分析、KEGG通路富集分析。结果:选择口服利用度(OB)≥30%、类药性(DL)≥0.18作为活性成分的筛选条件,并查阅文献补充,共收集参芍片/胶囊的32个潜在活性成分;通过网络拓扑学特征对度、介度中心度及接近中心度等评价筛选出参芍片/胶囊在心肌纤维方面作用的核心靶点249个;GO富集分析共123条结果,包含生物过程65条,分子功能31条,细胞组成27条;KEGG数据库共获取56条心肌纤维化相关通路。结论:参芍片/胶囊具有多成分、多靶点及多途径协同作用的特点,预测了参芍片/胶囊干预心肌纤维化的可能作用机制,同时为寻找其药理成分和作用机制奠定基础,为基础研究及临床应用提供理论依据。

Objective:To predict the mechanism of the intervention of Shenshao Tablets/Capsule on myocardial fibrosis(MF)by using network pharmacology.Method:The active components and targets of the Shenshao Tablets/Capsule Chinese material media were collected from TCMSP database,TCM-MESH database,UniProt database,and Pubchem database to construct the interaction network diagram.The MF related targets were screened through OMIM,DiGSeE,and TTD databases;the cross-targets of Shenshao Tablets/Capsule and MF was constructed in PPI database,and screened the core targets of the interaction;GO and KEGG pathway enrichment analysis of screened core targets was carried out using DAVID 6.8 database.Result:Using the oral bioavailability(OB)≥30%and drug-likeness(DL)≥0.18 as screening condition for the active ingredients,combined with supplement literature searched,32 active components of Shenshao Tablets/Capsule were screened out.Through the evaluation of network topology characteristics,such as degree,degree of medianity and near-center degree were selected to screen 249 core targets of Shenshao Tablets/Capsule in MF,the GO enrichment analysis showed 123 results,including 65 biological processes,31 molecular functions,and 27 cell compositions.A total of 56 the MF related pathways were obtained from the KEGG database.Conclusion:The Shenshao Tablets/Capsule has the characteristics of multi-component,multi-target and multi-channel synergy.It predicts the possible mechanism of Shenshao Tablets/Capsule intervention in the MF,and lays a foundation for finding its pharmacological components and mechanism.