基于UPLC-Q/TOF MS及网络药理学的丹参川芎嗪注射液抗血瘀活性成分和机制研究  

Study on Anti-Blood Active Ingredients and Mechanism of Danshen Ligustrazine Injection Based on UPLC-Q/TOF MS and Network Pharmacology

作　　者：董庆海 刘慧 刘俊丽 林红强 焦玉凤 司雨 刘云鹤 王钟瑶 刘金平[1] 李平亚[1] 李卓[1] DONG Qing-hai;LIU hui;LIU Jun-li;LI Hong-qiang;JIAO Yufeng;SI Yu;LIU Yun-he;WANG Zhong-yao;LIU Jin-ping;LI Ping-ya;LI Zhuo(Natural Product Research Center,College of Pharmacy,Jilin University,Changchun 130021,China;Jilin Sichang Pharmaceutical Co..Ltd..Meihekou 135000,China)

机构地区：[1]吉林大学药学院天然药物研究中心,吉林长春130021 [2]吉林四长制药有限公司,吉林梅河口135000

出　　处：《质谱学报》2021年第1期24-35,I0002,共13页Journal of Chinese Mass Spectrometry Society

基　　金：吉林省省校共建计划专项(SXGLSF2017-1-1);吉林省科技发展计划项目(20180004)资助。

摘　　要：运用网络药理学方法研究丹参川芎嗪注射液抗血瘀的活性成分及机制,采用UPLC-Q/TOF MS技术测定其化学成分,通过UNIFI天然产物分析平台,对比各成分的精确分子质量、保留时间及质谱碎片离子信息,并分析鉴定其结构。利用里宾斯基五规则筛选出全成分中的活性成分,运用TCMSP、DisGeNET、DAVID等数据库预测活性成分的作用靶点、疾病靶点和生物通路,通过Cytoscape软件构建活性成分、作用靶点、生物通路网络。本实验共鉴定出40个成分,经筛选得到20个活性成分,涉及51个疾病靶点,作用于PI3K-Akt、MAPK等10条信号通路。该方法初步揭示了丹参川芎嗪注射液的药效物质基础,可为阐明该注射液抗血瘀作用机制提供参考。UPLC-Q/TOF MS was used to determine the chemical composition of Salvia miltiorrhiza and Ligustrazine injection,and the components were compared by UNIFI natural product analysis platform.Accurate molecular mass,retention time,and mass fragment ion information were used to analyze and identify structures.Various types of compounds such as flavonoids,esters,and quinones were identified in the injection with a total of more than 40 kinds.The chemical components identified include salvia miltiorrhiza,protocatechuic acid,caffeic acid,salvianolic acid and other water-soluble components of salvia miltiorrhizae and ligustrazine,a landmark component of chuanxiong alkaloids.These chemical components have anti-oxidation,anti-platelet activation,protection damage to vascular endothelial cells,protection of ischemic cardiomyocytes,protection of ischemia-reperfusion injury of brain cells,liver protection,kidney and many other pharmacological effects.It is speculated that Danshen ligustrazine injection is able to promote blood circulation and remove blood stasis.At the same time,the identified compounds were screened using the Five-Ribsky rule,and the chemical components screened were classified as active ingredients that might enter the body to play a role.Databases such as TCMSP,BATMAN-TCM,Swiss Target Prediction,DisGeNET,TTD,GeneCards and so on were used to find potential targets for active ingredients and targets for blood stasis diseases,and screen for targets where the two intersect.A total of 20 active ingredients were screened,involving 51 intersection targets.The active ingredient-anti-blood stasis target network map was constructed by Cytoscape software.Using DAVID and other databases to predict the anti-blood stasis pathways of intersection targets,a total of 24 targets including AKT1,MAPK1,PIK3 CG,RELA,and BCL2 were predicted to be involved in the PI3 K-Akt signaling pathway,platelet activation pathway,sphingolipid signaling pathway,cAMP 10 pathways including signal pathway,mTOR signal pathway,VEGF signal pathway,MA

关 键 词：丹参川芎嗪注射液 活性成分 UPLC-Q/TOF MS 网络药理学 抗血瘀作用 

分 类 号：O657[理学—分析化学]