基于UPLC-Triple TOF MS/MS和网络药理学技术分析打箭菊总黄酮部位保肝活性成分及其潜在靶点研究  

Identification of Major Constituents by UPLC-Triple TOF MS/MS and the Network Pharmacology Study of the Total Flavonoids from Tibetan Herbal Medicine “Pyrethrum tatsienense”

作　　者：夏玉英[1] 祝晨蔯[1] 林朝展[1] 贺颖颖 康萨.索朗其美 贝日.泽仁达瓦 XIA Yu-ying;ZHU Chen-chen;LIN Chao-zhan;HE Ying-ying;KANG-SA·Suolangqimei;BEI-RI·Zerendawa(Institute of Clinical Pharmacology,Guangzhou University of Chinese Medicine,Guangzhou 510405,China;Science and Technology Institute of Tibetan Medicine,Tibetan Traditional Medical College,Lasa 850000,China)

机构地区：[1]广州中医药大学临床药理研究所,广东广州510405 [2]西藏藏医学院医药科技研究所,西藏拉萨850000

出　　处：《中药材》2018年第7期1609-1614,共6页Journal of Chinese Medicinal Materials

基　　金：国家自然科学基金(30960530;81460659);西藏自治区自然科学基金资助项目(2016ZR-ZY-01);西藏自治区高校青年教师创新支持计划(QCZ2016-80)

摘　　要：目的:研究打箭菊总黄酮部位的主要化学成分,以其总黄酮中的化学成分结合网络药理学方法预测其保肝作用的潜在靶点。方法:采用80%乙醇加热回流提取打箭菊药材,提取液过AB-8大孔树脂柱,以30%乙醇洗脱获得总黄酮部位,利用UPLC-Triple TOF MS/MS技术对打箭菊总黄酮部位进行检测,通过对照品、分子量和质谱裂解规律对打箭菊化学成分进行鉴定。通过Pubchem数据库、Swiss Target Prediction数据库和Cytoscape分析软件构建打箭菊总黄酮化学成分-靶点作用网络图。结果:从打箭菊总黄酮部位中鉴定18个主要的化学成分,其中12个化学成分通过串联质谱进行了结构推测,6个化学成分通过对照品得到确证。通过网络药理学研究预测出打箭菊保肝作用的5个潜在靶点。结论:UPLC-Triple TOF MS/MS技术可用于打箭菊总黄酮部位的化学成分鉴定,通过网络药理学研究可预测打箭菊保肝作用的潜在靶点,为深入阐释打箭菊保肝作用机制提供参考依据。Objective:To analyze the chemical constituents of total flavonoids from Pyrethrum tatsienense by UPLC-Triple TOF MS/MS,to predict the potential targets of these compounds for hepatoprotective effect by network pharmacology.Methods:The Pyrethrum tatsienense was extracted by reflux extraction using 80% ethanol as solvent,and then adsorbed by AB-8 macroporous resin with 30% ethanol elution to get the total flavonoids.The total flavonoids were separated and identified by UPLC-Triple TOF MS/MS.The "compounds-targets network" of Pyrethrum tatsienense was established based on the Pubchem database(https://pubchem.ncbi.nlm.nih.gov/),Swiss Target Prediction database(http://www.swisstargetprediction.ch/)and Cytoscape software(version 3.2.1).Results:18 major constituents were separated,twelve of them were identified by tandem mass spectrometer,and six of them were confirmed by compared with the reference substances.Five potential targets of 18 major constituents for hepatoprotective effect were predicted by "compounds-targets network" and literatures.Conclusion:UPLC-Triple TOF MS/MS method is rapid and accurate,and available for the rapid identification of the chemical constituents from Pyrethrum tatsienense.The network pharmacology can be used to find potential targets of Pyrethrum tatsienense for hepatoprotective effect.

关 键 词：打箭菊 总黄酮部位 化学成分 超高效液相色谱串联质谱法 网络药理学 

分 类 号：R284.1[医药卫生—中药学] R284.2[医药卫生—中医学]