Liu Jing, Cheng Xuejing, Zheng Xin, Shi Yumeng, Li Chunxia, He Qiaoyu, Li Yue, Chen Xiaopeng
State Key Laboratory of Component-Based Chinese Medicine, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China.
Beijing Analytical Center-SSL Shimadzu (China) Co., LTD, Beijing 100020, China.
Evid Based Complement Alternat Med. 2022 May 23;2022:6707811. doi: 10.1155/2022/6707811. eCollection 2022.
Marein is the main active compound of Nutt., and its main activities include antioxidant, hypoglycemic, and hypotensive. After oral administration of marein, the blood concentration of marein is low. The metabolites of marein have not been reported systematically. In this study, a rapid and systematic method based on ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) was established to detect metabolites of marein (plasma and urine) after oral administration and injection. Sixty-one metabolites were identified. The metabolites are formed through a wide range of metabolic reactions, including hydroxylation, glucuronidation, methylation, hydrolysis, and desorption of hydrogen. The liver microsome incubation was further used to investigate the metabolic rate of marein. Network pharmacology was applied to study the targets and pathways of marein and its metabolites. Marein and its metabolites act on the same targets to enhance the therapeutic effect. This research illuminates the metabolites and metabolic reaction of marein and establishes a basis for the development and rational utilization of . Meanwhile, the analysis of prototype and metabolites together by network pharmacology techniques could provide a methodology for the study of component activity.
去甲二氢愈创木酸是胡桃科植物的主要活性成分，其主要活性包括抗氧化、降血糖和降血压。口服去甲二氢愈创木酸后，其血药浓度较低。去甲二氢愈创木酸的代谢产物尚未得到系统报道。本研究建立了一种基于超高效液相色谱-四极杆飞行时间质谱（UPLC-Q-TOF-MS/MS）的快速系统方法，用于检测口服给药和注射后去甲二氢愈创木酸的代谢产物（血浆和尿液）。共鉴定出61种代谢产物。这些代谢产物通过广泛的代谢反应形成，包括羟基化、葡萄糖醛酸化、甲基化、水解和氢解。进一步利用肝微粒体孵育研究去甲二氢愈创木酸的代谢速率。应用网络药理学研究去甲二氢愈创木酸及其代谢产物的靶点和通路。去甲二氢愈创木酸及其代谢产物作用于相同靶点以增强治疗效果。本研究阐明了去甲二氢愈创木酸的代谢产物和代谢反应，为其开发和合理利用奠定了基础。同时，通过网络药理学技术对原型和代谢产物进行综合分析，可为成分活性研究提供一种方法。
