Comprehensive characterization of the in vitro and in vivo metabolites of limonin in human samples using LC-Q-TOF/MS
Comprehensive characterization of the in vitro and in vivo metabolites of limonin in human samples using LC-Q-TOF/MS
复制标题
使用 LC-Q-TOF/MS 全面表征人体样品中柠檬苦素的体外和体内代谢物
DOI：
10.1016/j.jchromb.2017.10.035
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发表时间：
2017-11-15
影响因子：
3
通讯作者：
Ju, Wenzheng
中科院分区：
文献类型：
--
作者：
Liu, Shijia;Chen, Peidong;Ju, Wenzheng
柠檬苦素是柑橘属的一种苦味三萜二内酯，具有潜在的药用价值。本研究采用高效液相色谱/四极杆飞行时间质谱法（HPLC-Q-TOF-MS）对人体内柠檬苦素的代谢进行了表征。从人体样本中共鉴定出7种代谢物。其中，尿液和粪便中检出M1、M2和M4 3种代谢物，其余代谢物在肠道细菌样本中检出。值得注意的是，M1和M3是化学合成的，其结构通过核磁共振谱数据进一步证实。柠檬苦素的代谢主要有还原、水解和甲基化三种途径。柠檬苦素D环的还原和水解反应较为普遍。代谢产物在a环分解。本研究为柠檬苦素在人体中的代谢提供了数据，有助于解释其生物活性。
Limonin is a bitter triterpenoid dilactone in the genus Citrus with potential medicinal value. In this study, the metabolism of limonin in human was characterized by high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). A total of 7 metabolites were identified from human samples. Among them, 3 metabolites of M1, M2 and M4 were detected in urine and feces, and the others were found in intestinal bacteria sample. Notably, M1 and M3 were chemically synthesized, of which the structures were further confirmed by NMR spectra data. The metabolism of limonin involved three major pathways, namely, reduction, hydrolysis and methylation. The reduction and hydrolysis were commonly observed in ring D of limonin. The metabolites showed decomposition in ring A. This study provides data for the metabolism of limonin in humans, and will contribute to explain its biological activity.