Sun Shanshan, Zhu Lijun, Hu Yanxi, Liu Yufeng
School of Pharmaceutical Sciences, Liaoning University, Shenyang 110036, PR China.
School of Pharmaceutical Sciences, Liaoning University, Shenyang 110036, PR China; Natural Products Pharmaceutical Engineering Technology Research Center of Liaoning Province, Shenyang 110036, PR China.
J Chromatogr B Analyt Technol Biomed Life Sci. 2018 May 15;1085:63-71. doi: 10.1016/j.jchromb.2018.03.042. Epub 2018 Mar 27.
In this study, a high performance liquid chromatography/electrospray ionization/Fourier transform ion cyclotron resonance mass spectrometry and quadrupole time-of-flight mass spectrometry (HPLC-ESI-FT-ICR MS and HPLC-ESI-QTOF MS) based on chemical profiling method was established to study the metabolites of paeoniflorin in human intestinal microflora (HIM). By virtue of the high resolution, high speed of HPLC and the accurate mass measurement of FT-ICR MS and QTOF MS, 31 metabolites in methyl tert-butyl ether (MTBE) layer were detected, and the structures of 16 metabolites were identified. Among them, 13 metabolites (including two new compounds) were found for the first time in HIM transformation in vitro. The results indicated that metabolic pathways of paeoniflorin in HIM contained extensive metabolic reactions. The hydrolysis, oxidization and conjugation were major metabolic pathways, and the glycosidic linkage, ester bond, benzene ring and pinane of the structure were metabolic sites. These results would contribute to better understanding the metabolic mechanism of paeoniflorin, thereby to in-depth study and development of paeoniflorin in medicine.
本研究建立了基于化学表征方法的高效液相色谱/电喷雾电离/傅里叶变换离子回旋共振质谱联用和四极杆飞行时间质谱联用（HPLC-ESI-FT-ICR MS和HPLC-ESI-QTOF MS）技术，用于研究芍药苷在人肠道菌群（HIM）中的代谢产物。借助HPLC的高分辨率、高速度以及FT-ICR MS和QTOF MS的精确质量测定，在甲基叔丁基醚（MTBE）层中检测到31种代谢产物，并鉴定出16种代谢产物的结构。其中，有13种代谢产物（包括两种新化合物）首次在体外HIM转化中被发现。结果表明，芍药苷在HIM中的代谢途径包含广泛的代谢反应。水解、氧化和结合是主要的代谢途径，结构中的糖苷键、酯键、苯环和芍药烷是代谢位点。这些结果将有助于更好地理解芍药苷的代谢机制，从而深入研究和开发芍药苷在医学上的应用。
