Guo Zhong-Hui, Jia Zhi-Xin, Chen Kui-Kui, Liu Jie, Xu Wen-Juan, Duan Fei-Peng, Xian Zhong, Wei Zi-Yi, Chen Lian-Ming, Xiao Hong-Bin
Tianjin University of Traditional Chinese Medicine, Tianjin 300193, China.
Research Center for Chinese Medicine Analysis and Transformation, Beijing University of Chinese Medicine, Beijing 100029, China.
Zhongguo Zhong Yao Za Zhi. 2018 Jul;43(13):2796-2805. doi: 10.19540/j.cnki.cjcmm.20180419.002.
To explore the drug-induced constituents of Polygonum multiflorum extract (PM). This study was the first to study the drug-induced constituents in target organ liver. Agilent MassHunter qualitative analysis software and Metabolite ID software were applied for the analysis of retention time, exact relative molecular mass, primary and secondary mass spectrum information based on ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and targeted-MS/MS. By comparison with literature and standards, a total of 5 prototypes and 6 metabolites were identified or tentatively elucidated from the liver samples. In addition, the drug-induced constituents in plasma and PM were also analyzed in this study and 8 prototypes and 19 metabolites were detected from the plasma samples, while 30 compounds were detected from the extract of PM. Emodin oxidative acetylation metabolites, hydroxyl methylation metabolites, carboxylation glucuronidation metabolites and ketone glucuronidation metabolites in this study were first reported. Through the comparative analysis between the and constituents of PM, the study preliminarily revealed the drug-induced constituents (prototypes and metabolites) in liver and clarified the transfer process and transmutation rules of constituents in PM, blood and liver, which would further deepen our understanding on constituents of PM .
为探究何首乌提取物（PM）的药物诱导成分。本研究首次对目标器官肝脏中的药物诱导成分进行研究。基于超高效液相色谱-四极杆飞行时间质谱（UPLC-Q-TOF-MS）和靶向质谱/质谱，应用安捷伦MassHunter定性分析软件和代谢物识别软件对保留时间、精确相对分子质量、一级和二级质谱信息进行分析。通过与文献和标准品比较，从肝脏样品中总共鉴定或初步阐明了5种原型成分和6种代谢物。此外，本研究还分析了血浆和PM中的药物诱导成分，从血浆样品中检测到8种原型成分和19种代谢物，而从PM提取物中检测到30种化合物。本研究首次报道了大黄素氧化乙酰化代谢物、羟基甲基化代谢物、羧基葡萄糖醛酸化代谢物和酮葡萄糖醛酸化代谢物。通过对PM的 和 成分的比较分析，本研究初步揭示了肝脏中的药物诱导成分（原型成分和代谢物），阐明了PM、血液和肝脏中成分的转移过程和转化规律，这将进一步加深我们对PM成分的理解。
