基于UHPLC-Q-TOF-MS/MS的抑肝散化学成分及其血、脑移行成分分析

    Analysis of the Chemical Constituents of Yigan San and Its Blood and Brain Migratory Components Based on UHPLC-Q-TOF-MS/MS

    • 摘要:
      目的 建立一种快速鉴别中药经典方抑肝散化学成分的有效方法,并探索其口服给药后在血液和脑组织中的移行成分。
      方法 采用超高效液相色谱-四极杆-飞行时间串联质谱法(UHPLC-Q-TOF-MS/MS)进行数据采集。根据化合物保留时间、准分子离子峰、二级碎片离子等信息,对抑肝散水提物及口服后的血液和脑组织中的移行成分进行表征与鉴定。
      结果 从抑肝散水提物中共鉴定出170个化合物,其中包括黄酮类42个、其他类33个、内酯类25个、有机酸类27个、萜类14个、生物碱类11个、香豆素类10个、皂苷类8个。从血液中共鉴定出31个化合物,从脑组织中共鉴定出8个化合物;此外,还发现13个代谢产物,涵盖还原、氧化、羟基化、葡萄糖醛酸化等Ⅰ、Ⅱ相代谢过程。
      结论 本研究高通量分析了抑肝散的化学成分,揭示了其口服给药后在血液和脑组织中的传递,其中东莨菪素、洋川芎内酯、刺芒柄花素可能是其潜在药效物质基础,可为今后该复方的质量标准提升、药效物质研究,以及活性药物开发提供科学依据。

       

      Abstract:
      OBJECTIVE To establish an effective method to rapidly identify the chemical components of the classic Chinese medicine prescription Yigan San, and to explore its migratory components in blood and brain tissues after oral administration.
      METHODS Data acquisition was performed by ultra-performance liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry(UHPLC-Q-TOF-MS/MS). According to the information of compound retention time, excimer ion peak, secondary fragment ion and other information, the migration components in blood and brain tissues after oral administration were characterized and identified.
      RESULTS A total of 170 compounds were identified from the water extract of Yigan San, including 42 flavonoids, 33 others, 25 lactones, 27 organic acids, 14 terpenoids, 11 alkaloids, 10 coumarins and 8 saponins. A total of 31 compounds were identified in the blood and 8 compounds in the brain tissue. Additionally, 13 metabolites were discovered, covering phase Ⅰ and phase Ⅱ metabolic processes such as reduction, oxidation, hydroxylation, and glucuronidation.
      CONCLUSION In this study, the chemical composition of Yigan San are analysed in high throughput, revealing its delivery in blood and brain tissues after oral administration, in which scopoletin, senkyunolide, and formononetin may be the basis of potential pharmacodynamic substances, which may provide a scientific basis for the improvement of the quality standard of the compound, the study of pharmacodynamic substances, and the development of the active pharmaceuticals in the future.

       

    /

    返回文章
    返回