桑椹防治肝肾阴虚型冠心病成分与作用机制分析  

Research on the Ingredients and Mechanisms of Mulberry in the Prevention and Treatment of Coronary Heart Disease of Liver and Kidney Yin Deficiency

作　　者：宋晓漫 李文林[1,2] 杨丽丽[2,3] 曾莉[3] SONG Xiao-man;LI Wen-lin;YANG Li-li;ZENG Li(College of Acupuncture,Massage,Health Preservation and Rehabilitation,Nanjing University of Chinese Medicine,Nanjing,Jiangsu 210023,China;Jingwen Library,Collaborative Innovation Center for the Industrialization Process of Chinese Medicine Resources,Nanjing University of Chinese Medicine,Nanjing,Jiangsu 210023,China;School of First Clinical Medicine,Nanjing University of Chinese Medicine,Nanjing,Jiangsu 210023,China)

机构地区：[1]南京中医药大学针灸推拿养生康复学院,江苏南京210023 [2]南京中医药大学,江苏省中药资源产业化过程协同创新中心,敬文图书馆,江苏南京210023 [3]南京中医药大学第一临床医学院,江苏南京210023

出　　处：《粮油食品科技》2022年第3期137-147,共11页Science and Technology of Cereals,Oils and Foods

基　　金：国家重点研发计划项目(2017YFC1703506);药食同源食材健康功效数据库建设(2019007)。

摘　　要：基于网络药理学和分子对接研究桑椹防治肝肾阴虚型冠心病成分与潜在作用机制。运用TCMSP、TCMID、Swiss TargetPrediction、GeneCards等数据库并结合文献报道获得桑椹防治肝肾阴虚型冠心病有效活性成分和共同作用靶点,运用Cytoscape软件生成成分-靶点-疾病相互作用网络图,通过STRING数据库进行PPI网络的构建与分析,然后借助DAVID数据库进行GO功能分析及KEGG通路富集分析,最后利用薛定谔软件对重要活性成分与关键靶点进行分子对接验证。获得桑椹有效活性成分14个,134个靶基因与肝肾阴虚型冠心病相关。预测靶基因主要作用于TNF、PI3K/Akt等信号通路通过调控炎症、凋亡反应以及血液循环来防治肝肾阴虚型冠心病。分子对接结果表明重要活性成分与候选靶蛋白存在较好的结合性。初步揭示桑椹能够多成分、多靶点、多通路地防治肝肾阴虚型冠心病,研究结果可为桑椹及防治肝肾阴虚型冠心病功能食品的开发提供理论参考和新的研究方向。To explore the ingredients and possible mechanisms of Mulberry for controlling coronary heart disease of liver and kidney yin deficiency based on network pharmacology and molecular docking.The active components and common targets of Mulberry combating coronary heart disease of liver and kidney yin deficiency were obtained from TCMSP,TCMID,Swiss TargetPrediction,and GeneCards databases;cytoscape software was used to generate component-target-disease interaction network diagram.PPI network was constructed and analyzed by STRING database;with the help of DAVID database,the GO function analysis and KEGG pathway enrichment analysis were carried out,and finally Schrödinger Maestro was used to verify the molecular docking of main active ingredients and key targets.There were 14 active components in Mulberry,and 134 target genes were associated with coronary heart disease of liver and kidney yin deficiency.Predicted target genes mainly acted on TNF,PI3K/AKT signaling pathways to prevent and treat coronary heart disease with liver and kidney yin deficiency by regulating inflammation,apoptosis and blood circulation.Molecular docking results showed that the main active ingredients had good binding properties with candidate target proteins.The study preliminarily reveals that Mulberry can prevent and treat coronary heart disease of liver and kidney yin deficiency through multi-components,multi-targets and multi-pathways.The results can provide theoretical reference and new research direction for the development of Mulberry and functional foods for controlling the coronary heart disease of liver and kidney yin deficiency.

关 键 词：桑椹 冠心病 肝肾阴虚 网络药理学 分子对接 作用机制 

分 类 号：R256.2[医药卫生—中医内科学]