PMID- 29107222 OWN - NLM STAT- MEDLINE DCOM- 20171204 LR - 20171204 IS - 1873-376X (Electronic) IS - 1570-0232 (Linking) VI - 1068-1069 DP - 2017 Nov 15 TI - Comprehensive characterization of the in vitro and in vivo metabolites of limonin in human samples using LC-Q-TOF/MS. PG - 226-232 LID - S1570-0232(17)30917-0 [pii] LID - 10.1016/j.jchromb.2017.10.035 [doi] AB - 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. CI - Copyright (c) 2017. Published by Elsevier B.V. FAU - Liu, Shijia AU - Liu S AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Chen, Peidong AU - Chen P AD - Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210016, Jiangsu, China. FAU - Zhang, Nongshan AU - Zhang N AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Sun, Luning AU - Sun L AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Dai, Guoliang AU - Dai G AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Zhu, Lei AU - Zhu L AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Li, Changyin AU - Li C AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. FAU - Zhao, Yang AU - Zhao Y AD - Office of Pharmaceutical Quality, Center of Drug Evaluation and Research, U.S. Food and Drug Administration, 20903, Silver Spring, MD, USA. FAU - Zhang, Li AU - Zhang L AD - Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210016, Jiangsu, China. FAU - Fu, Haiyan AU - Fu H AD - State Key Laboratory of Organ Failure Research, National Clinical Research Center of Kidney Disease, Division of Nephrology, Nanfang Hospital, Southern Medical University, Guangzhou, China. Electronic address: fuhaiyan@fmmu.edu.cn. FAU - Ju, Wenzheng AU - Ju W AD - Affiliated Hospital of Nanjing University of Chinese Medicine, Nanjing 210029, Jiangsu, China. Electronic address: juwenzheng1770@sina.com. LA - eng PT - Journal Article DEP - 20171019 PL - Netherlands TA - J Chromatogr B Analyt Technol Biomed Life Sci JT - Journal of chromatography. B, Analytical technologies in the biomedical and life sciences JID - 101139554 RN - 0 (Limonins) RN - L0F260866S (limonin) SB - IM MH - Administration, Oral MH - Adult MH - Chromatography, Liquid/*methods MH - Feces/chemistry MH - Female MH - Gastrointestinal Microbiome MH - Humans MH - Limonins/administration & dosage/*analysis/chemistry/*metabolism MH - Male MH - Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/*methods MH - Young Adult OTO - NOTNLM OT - Hydrolysis OT - Limonin OT - Metabolism OT - Metabolites OT - Reduction EDAT- 2017/11/07 06:00 MHDA- 2017/12/05 06:00 CRDT- 2017/11/07 06:00 PHST- 2017/05/19 00:00 [received] PHST- 2017/10/09 00:00 [revised] PHST- 2017/10/15 00:00 [accepted] PHST- 2017/11/07 06:00 [pubmed] PHST- 2017/12/05 06:00 [medline] PHST- 2017/11/07 06:00 [entrez] AID - S1570-0232(17)30917-0 [pii] AID - 10.1016/j.jchromb.2017.10.035 [doi] PST - ppublish SO - J Chromatogr B Analyt Technol Biomed Life Sci. 2017 Nov 15;1068-1069:226-232. doi: 10.1016/j.jchromb.2017.10.035. Epub 2017 Oct 19.