基于网络药理学探讨新疆鼠尾草6,7-去氢罗列酮改善心肌缺血作用机制

Exploring the Mechanism of 6,7-Dehydrorolistone from Salvia Deserta Schang in Improving Myocardial Ischemia Based on Network Pharmacology

目的运用网络药理学的方法探讨新疆鼠尾草6,7-去氢罗列酮改善心肌缺血的作用机制。方法通过Swiss target prediction数据库预测6,7-去氢罗列酮作用靶点;检索GeneCards、DrugBank、OMIM数据库获取心肌缺血相关靶点;化合物-疾病靶点取交集,将交集靶点导入String数据库并利用Cytoscape软件构建PPI网络;通过Metascape数据库进行GO功能和KEGG通路富集分析;最后通过Autodock进行分子对接验证。结果6,7-去氢罗列酮作用相关靶点100个,心肌缺血靶点1817个,两者交集靶点共计48个;富集结果表明,6,7-去氢罗列酮可能通过BCL2、BCL2L1、MAPK8等靶点,作用于脂质和动脉粥样硬化、细胞凋亡、PI3K-Akt等信号通路改善心肌缺血;分子对接验证大部分靶点与成分结合性高。结论通过网络药理学的方法揭示了6,7-去氢罗列酮多靶点、多通路改善心肌缺血的作用机制。

OBJECTIVE To explore the mechanism of 6,7-dehydrorolistone from Salvia deserta Schang in improving myocardial ischemia by means of network pharmacology.METHODS The target of 6,7-dehydrorolistone was predicted by the Swiss target prediction database;the myocardial ischemia relatedtargets wereobtained by searching GeneCards,DrugBank,and OMIM databases;the compound-disease targets were intersected,Import the intersected targets into the STRING database.The PPI network was constructed by Cytoscape software;GOfunction and KEGG pathway enrichment analysis was performed throughthe Metascape database;Finally,molecular docking verification is carried out through Autodock.RESULTS There were 100 related targets of 6,7-dehydrorolistone,1817 targets ofmyocardialischemia,and a total of 48 intersectingtargets.The enrichment results showed that 6,7-dehydrorolistone may act through BCL2,BCL2L1,MAPK8 and other targets,acting on lipid and atherosclerosis,apoptosis,PI3K-Akt and othersignaling pathways to improvemyocardial ischemia;Molecular docking tests have high binding to most targets and components.CONCLUSION The multi-targetand multi-pathway mechanism of 6,7-dehydroroslitone in improving myocardial ischemia was revealed by the method of network pharmacology.