Ma Beibei, Li Jiameng, Lou Tianyu, Liang Yaoyue, Wang Chenxiao, Li Ruiji, Wang Tingting, Liu Jinhui, Guo Yudong, Wang Zhibin, Wang Jing
School of Chinese Pharmacy, Beijing University of Chinese Medicine, Beijing, China.
Beijing Institute for Drug Control, Beijing, China.
Int J Anal Chem. 2020 Jun 24;2020:8274193. doi: 10.1155/2020/8274193. eCollection 2020.
Phillyrin, a well-known bisepoxylignan, has been shown to have many critical pharmacological activities. In this study, a novel strategy for the extensive acquisition and use of data was established based on UHPLC-Q-Exactive mass spectrometry to analyze and identify the metabolites of phillyrin and to elucidate the metabolic pathways of phillyrin. Among them, the generation of data sets was mainly due to multichannel data mining methods, such as high extracted ion chromatogram (HEIC), diagnostic product ion (DPI), and neutral loss filtering (NLF). A total of 60 metabolites (including the prototype compound) were identified in positive and negative ion modes based on intuitive and useful data such as the standard's cleavage rule, accurate molecular mass, and chromatographic retention time. The results showed that a series of biological reactions of phillyrin mainly included methylation, hydroxylation, hydrogenation, sulfonation, glucuronidation, demethylation, and dehydrogenation and their composite reactions. In summary, this study not only comprehensively explained the metabolism of phillyrin, but also proposed an effective strategy to quickly analyze and identify the metabolites of natural pharmaceutical ingredients in nature.
连翘苷是一种著名的双环氧木脂素，已被证明具有许多关键的药理活性。在本研究中，基于超高效液相色谱-四极杆-静电场轨道阱质谱建立了一种广泛获取和使用数据的新策略，以分析和鉴定连翘苷的代谢产物，并阐明连翘苷的代谢途径。其中，数据集的生成主要得益于多通道数据挖掘方法，如高分辨提取离子色谱图（HEIC）、诊断性产物离子（DPI）和中性丢失过滤（NLF）。基于标准品裂解规则、精确分子量和色谱保留时间等直观有用的数据，在正离子和负离子模式下共鉴定出60种代谢产物（包括原型化合物）。结果表明，连翘苷的一系列生物反应主要包括甲基化、羟基化、氢化、磺化、葡萄糖醛酸化、去甲基化和脱氢及其复合反应。综上所述，本研究不仅全面解释了连翘苷的代谢情况，还提出了一种快速分析和鉴定天然药物成分代谢产物的有效策略。
