Potential mechanism of Shenshao Tablets/Capsule for treatment of myocardial fibrosis based on network pharmacology
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摘要: 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。Abstract: 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.
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Key words:
- network pharmacology /
- Shenshao Tablets/Capsule /
- myocardial fibrosis /
- mechanism /
- target
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