UPLC-Q-TOF-MS/MS分析荭草花有效组分在大鼠血清和尿液中的原型成分及其代谢产物  

UPLC-Q-TOF-MS/MS analysis on prototypes components and metabolites of effective fractions of Polygonum orientale flower in rat serum and urine

作　　者：陈思颖[1] 夏涛 郑林[1] 李月婷[1] 巩仔鹏[1] 黄勇[1] 李勇军[2] 赵平[1,3] CHEN Si-ying;XIA Tao;ZHENG Lin;LI Yue-ting;GONG Zi-peng;HUANG Yong;LI Yong-jun;ZHAO Ping(Guizhou Provincial Key Laboratory of Pharmaceutics State Key Laboratory of Efficacy and Utilization of Medicinal Plants ,Guizhou Medical University, Guiyang 550004, China;Engineering Research Center for the Development and Application ofEthnic Medicine and Traditional Chinese Medicine (Ministry of Education) , Guizhou Medical University, Guiyang 550004, China;School of Pharmacy, Guizhou Medical University, Guiyang 550004, China)

机构地区：[1]贵州医科大学贵州省药物制剂重点实验室/药用植物功效与利用国家重点实验室,贵州贵阳550004 [2]贵州医科大学民族药与中药开发应用教育部工程研究中心,贵州贵阳550004 [3]贵州医科大学药学院,贵州贵阳550004

出　　处：《中国中药杂志》2019年第10期2156-2162,共7页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(81560630,81660712,81360664);贵州省科技计划项目(黔科合平台人才[2017]5601,[2016]5613/5677);贵阳市科研创新团队项目(筑科合同[2017]30-29)

摘　　要：应用超高效液相色谱串联电喷雾飞行时间质谱(UPLC-Q-TOF-MS/MS)分析SD大鼠灌胃给予荭草花有效组分后所得血清和尿液中的原型成分及代谢产物。采用Agilent Eclipse Plus C18色谱柱(2. 1 mm×100 mm,1. 8μm),以0. 1%甲酸水(A)-0. 1%甲酸乙腈(B)为流动相进行梯度洗脱。在电喷雾正负离子模式下获取生物样品中化学成分的质谱数据,通过比较空白样品、给药样品和两者的差异图谱确认灌胃后大鼠血清和尿液中原型成分及其代谢产物。利用TOF/MS得到的准确相对分子质量,多级质谱裂解信息,结合对照品及相关文献报道结果对比,对尿液和血清中荭草花原型成分和代谢产物进行鉴定。结果发现,在大鼠血清、尿液中分别检测到12,26个代谢产物(含交叉成分),代谢途径主要包括以氢化还原、开环裂解、羟基化、甲基葡萄糖醛酸化、葡萄糖醛酸化、硫酸化等。该实验建立的方法可靠、有效,可用于荭草花有效部位在血清和尿液中的代谢研究,研究结果为该药材今后的药效物质基础研究提供了理论参考。Ultra performance liquid chromatography coupled with time-of-flight mass spectrometry( UPLC-Q-TOF-MS/MS) method was applied to analyze the prototypes and metabolites of the effective components of Polygonum orientale in SD rat serum and urine. The separation was performed on Agilent Eclipse Plus C18 column( 2. 1 mm×100 mm,1. 8 μm),with 0. 1% formic acid solution( A)-acetonitrile( B) as the mobile phase for gradient elution. Mass spectrometry data of biological samples were obtained under positive and negative electrospray ion mode. By comparing chromatogram differences between blank samples and drug treatment samples,prototype components and metabolites of the effective components of P. orientale extract were identified. The results showed that 12 metabolites were detected in serum and 26 metabolites in urine( including cross-components) of rats. The main metabolic pathways included hydrogenation,hydroxylation,glucuronidation,sulfation reaction,and methylation-glucuronidation,etc. The method established in this study was reliable and effective for studying the metabolic characteristics of the effective components of P. orientale in rats,and it can provide a reference for further studies on therapeutic material basis of this herb.

关 键 词：荭草花 有效组分 UPLC-Q-TOF-MS/MS 代谢产物 代谢途径 

分 类 号：R285.5[医药卫生—中药学]