基于网络药理学和分子对接技术分析生脉散缓解心肌缺血再灌注损伤的分子机制  

The molecular mechanism of Shengmai powder in alleviating myocardial ischemia-reperfusion injury was analyzed based on network pharmacology and molecular docking techniques

作　　者：程巧巧 张蓉蓉[1] 陈莉[1] 朱锦芝 毛士龙[1] CHENG Qiaoqiao;ZHANG Rongrong;CHEN Li;ZHU Jinzhi;MAO Shilong(Department of Pharmacy,Xuhui Central Hospital,Shanghai 200237,China)

机构地区：[1]上海市徐汇区中心医院药剂科,200237

出　　处：《临床合理用药》2025年第11期1-3,7,F0003,共5页Chinese Journal of Clinical Rational Drug Use

基　　金：上海市科学技术委员会科研计划项目(16DZ1920108)。

摘　　要：目的运用网络药理学和分子对接技术分析生脉散缓解心肌缺血再灌注损伤的分子机制。方法通过TCMSP和TCMID数据库检索生脉散的活性成分,并通过SwissTargetPrediction平台获得其作用靶点,筛选出疾病靶点和活性成分作用靶点的交集靶点,进行PPI分析,获得关键靶点,再进行GO和KEGG富集分析。采用AutoDock软件对活性成分和靶点进行分子对接。结果筛选获得生脉散活性成分56种,225个重合靶点,12个关键靶点,富集分析显示生脉散参与对活性氧的反应、凋亡、蛋白激酶结合等过程,调节MAPK、VEGF等信号通路。分子对接结果显示麦冬、五味子、人参的活性成分与关键靶点均对接成功。结论生脉散参与氧化压力、凋亡、蛋白激酶结合等多个过程,调节MAPK、VEGF等信号通路发挥心肌缺血再灌注损伤的保护作用。Objective Network pharmacology and molecular docking techniques were used to analyze the molecular mechanism of Shengmai powder in alleviating myocardial ischemia-reperfusion injury.Methods Active components of Shengmai powder were retrieved through TCMSP and TCMID databases,and its action targets were obtained through SwissTargetPrediction platform.The intersection targets of disease targets and active component action targets were screened out for PPI analysis,and the key targets were obtained for GO and KEGG enrichment analysis.AutoDock software was used for molecular docking of active ingredients and targets.Results 56 active ingredients of Shengmai powder were selected,225 overlapping targets and 12 key targets.Enrichment analysis showed that Shengmai powder was involved in reactive oxygen species,apoptosis,protein kinase binding and other processes,regulating MAPK,VEGF and other signaling pathways.Molecular docking results showed that the active components of ophiopogon,schisandra and ginseng were successfully docked with key targets.Conclusion Shengmai powder is involved in oxidative stress,apoptosis,protein kinase binding and other processes,regulating MAPK,VEGF and other signaling pathways to play a protective role in myocardial ischemia-reperfusion injury.

关 键 词：生脉散 心肌缺血再灌注损伤 网络药理学 分子对接 

分 类 号：R28[医药卫生—中药学]