UPLC-Q-TOF-MS+结合MetabolynxTM+软件快速分析香附四物汤效应部位在大鼠体内的代谢物组织分布.pdfVIP

首届全国方剂组成原理高峰论坛 Identification of major chemical constituents and their metabolites in rat plasma and various organs after oral administration of effective Xiang-Fu-Si-Wu TM Decoction fraction by UPLC-Q-TOF-MS and Metabolynx * Pei Liu, Jin-ao Duan , Jian-ming Guo, Er-Xin Shang, Da-wei Qian, Shu-lan Su, Yu-ping Tang Jiangsu Key Laboratory for TCM Formulae Research, 138 Xianlin Road, Nanjing University of Chinese Medicine, Nanjing 210046, PR China ABSTRACT A simple and specific UPLC-Q-TOF-MS method with automated data analysis (MetaboLynxTM) has been developed and applied for the primary investigation of metabolism pathway of active Xiang-Fu-Si-Wu Decoction fraction (XFSW-8). Through the online ESI-MSE analysis and automated data analysis (MetaboLynxTM), a total of fifteen constituents have been identified or tentatively characterized from the nine tested samples after oral administration of XFSW-8. Six parent compounds and nine metabolites were identified in blood and eight organs. Methylates / demethylates sulfation, glucuronidation, sulfation and glucuronidation conjugates were the major metabolic pathways of alkaloids in XFSW-8 in vivo. The present study provided important information about the metabolism of alkaloids in Xiang-Fu-Si-Wu Decoction which will be helpful for fully understanding the mechanism of action of this Chinese medicine. Keywords Xiang-Fu-Si-Wu Decoction; Metabolites; UPLC-Q-TOF-MS; MetaboLynx * Correspondence Prof. Jin-ao Duan, Jiangsu Key laboratory for TCM formulae Research, Nanjing University of Chinese Medicine, Nanjing 210046, PR C