Metabolic profiling of coumarins by the combination of UPLC-MS-based metabolomics and multiple mass defect filter
Xiao, Yao1,2; Wang, Yi-Kun1,2; Xiao, Xue-Rong1; Zhao, Qi1,2; Huang, Jian-Feng1,2; Zhu, Wei-Feng3; Li, Fei1
Corresponding AuthorLi, Fei(lifeib@mail.kib.ac.cn)
2020-03-25
Source PublicationXENOBIOTICA
ISSN0049-8254
Pages14
AbstractCoumarins have aroused high interests due to their diverse bioactivities. Understanding of its metabolism contributes to determine the druggability of coumarin in vivo. A sensitive and efficient strategy based on ultra-performance liquid chromatography-mass spectrometer (UPLC-MS) analysis combined with various data-processing techniques including metabolomics and multiple mass defect filter (MMDF) was established for the comprehensive screening and elucidation of potential coumarin metabolites. Total 20 metabolites of scoparone were identified in this study, including 14 undescribed metabolites. The metabolism of two other similar coumarins scopoletin and esculetin also could be determined using this strategy. By the established strategy, this study gives the insights about the major metabolic pathways of scoparone in vivo and in vitro metabolism, including demethylation, hydroxylation, hydration, cysteine conjugation, glucuronide conjugation and sulfate conjugation. Additionally, the metabolic pathways of scopoletin and esculetin were determined as hydroxylation, glucuronidation and sulfation. These results contribute to the understanding of metabolic characterization of coumarins, and demonstrate that the combination of UPLC-MS-based metabolomics and MMDF is a powerful approach to determine the metabolic pathways of coumarin compounds.
KeywordCoumarins metabolism metabolomics UPLC-MS multiple mass defect filter
DOI10.1080/00498254.2020.1744047
Indexed BySCI ; SCI
Language英语
WOS Research AreaPharmacology & Pharmacy ; Toxicology
WOS SubjectPharmacology & Pharmacy ; Toxicology
WOS IDWOS:000524054900001
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.kib.ac.cn/handle/151853/71480
Collection植物化学与西部植物资源持续利用国家重点实验室
Corresponding AuthorLi, Fei
Affiliation1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming, Yunnan, Peoples R China
2.Univ Chinese Acad Sci, Beijing, Peoples R China
3.Jiangxi Univ Tradit Chinese Med, Academician Workstn, Nanchang, Jiangxi, Peoples R China
Recommended Citation
GB/T 7714
Xiao, Yao,Wang, Yi-Kun,Xiao, Xue-Rong,et al. Metabolic profiling of coumarins by the combination of UPLC-MS-based metabolomics and multiple mass defect filter[J]. XENOBIOTICA,2020:14.
APA Xiao, Yao.,Wang, Yi-Kun.,Xiao, Xue-Rong.,Zhao, Qi.,Huang, Jian-Feng.,...&Li, Fei.(2020).Metabolic profiling of coumarins by the combination of UPLC-MS-based metabolomics and multiple mass defect filter.XENOBIOTICA,14.
MLA Xiao, Yao,et al."Metabolic profiling of coumarins by the combination of UPLC-MS-based metabolomics and multiple mass defect filter".XENOBIOTICA (2020):14.
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