Comprehensive characterization of the in vitro and in vivo metabolites of geniposide in rats using ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometer

Xenobiotica; the Fate of Foreign Compounds in Biological Systems
Yun LiJia-Yu Zhang

Abstract

1. Geniposide (genipin 1-O-glucose), one of the major bioactive constituents isolated from Fructus Gardeniae, possesses many biological activities. In this study, an efficient strategy was developed using ultra-high-performance liquid chromatography coupled with linear ion trap-Orbitrap mass spectrometer (UPLC-LTQ-Orbitrap) to profile the in vitro and in vivo metabolic patterns of geniposide in rat liver microsomes (RLMs), plasma, urine, and various tissues. And post-acquisition data-mining methods including extracted ion chromatogram (EIC), multiple mass defect filters (MMDF), fragment ion searching (FISh), and isotope pattern filtering (IPF) were adopted to characterize the known and unknown metabolites. 2. A total of 33 metabolites were detected and interpreted according to accurate mass measurement, diagnostic fragment ions, relevant drug biotransformation knowledge, and bibliography data. Among them, 17 metabolites were detected in the plasma, 31 metabolites were identified in the urine, six metabolites could be found in rat heart, 12 in liver, three in spleen, six in lung, 12 in kidney, six in brain, and four in RLMs. 3. A series of corresponding reactions such as hydrolysis, hydroxylation, taurine conjugation, hydrogenat...Continue Reading

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Citations

Oct 11, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Mingqiu ShanSam Fong Yau Li
Oct 3, 2017·Xenobiotica; the Fate of Foreign Compounds in Biological Systems·Jing YuJiang Zheng
Feb 15, 2020·Journal of Biochemical and Molecular Toxicology·Zhuo ChenGengren Tian
Sep 12, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yuqi WangJiayu Zhang

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