[关键词]
[摘要]
目的 基于网络药理学和生物信息学方法分析丹参酮ⅡA治疗冠心病(CHD)的分子生物学机制。方法 利用PharmMapper数据库筛选出丹参酮ⅡA的作用靶点,利用OMIM、GeneCards、CTD数据库筛选CHD疾病作用相关靶点。利用STRING数据库进行蛋白互作网络分析,利用Cytoscape构建蛋白相互作用网络,利用ClueGO插件进行GO分析和KEGG信号通路富集分析,利用Systemsdock数据库进行系统分子对接,利用iGEMDOCK软件进行分子对接来预测丹参酮ⅡA对CHD作用靶点的结合性。结果 筛选出丹参酮ⅡA的潜在靶点173个;与CHD相关的靶点42个;信号通路49条。结论 丹参酮ⅡA治疗CHD具有多靶点、多通路作用的特点;其可能作用机制是通过调控CHD发展过程中的血压调节、细胞代谢、血管新生、内分泌、活性氧代谢等过程对CHD进行干预。
[Key word]
[Abstract]
Objective To analyze the molecular biological mechanism of tanshinone ⅡA in the treatment of coronary heart disease (CHD) based on network pharmacology and bioinformatics methods. Methods The targets of tanshinone ⅡA were screened by uploading the chemical structure to PharmMapper database. Related targets of CHD were screened by OMIM, GeneCards, and CTD databases. The above data were imported into STRING database for PPI network analysis. Protein interaction network was constructed using Cytoscape. Gene Ontology analysis and enrichment analysis of KEGG signaling pathway were performed by Cluego. Systemsdock database was used for system molecular docking, and iGEMDOCK software was used for molecular docking to test the binding of tanshinone ⅡA to the targets of coronary heart disease. Results A total of 173 possible potential targets of tanshinone ⅡA, 42 targets related to CHD and 49 signal pathways were identified. Conclusion Tanshinone ⅡA has the characteristics of multi-target and multi-pathway in the treatment of CHD, and its mechanism may be through the regulation of blood pressure, cell metabolism, angiogenesis, endocrine, reactive oxygen metabolism, and other bioprocesses during the development of CHD.
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[基金项目]
国家自然科学基金资助项目(81660776);广西自然科学基金资助项目(2016GXNSFAA380296);广西中医药大学研究生教育创新计划项目(YCSW2018171);2018年广西壮族自治区财政资助博士学位授予单位立项建设项目(桂学位[2018]5号)