New Metabolites of Coumarin Detected in Human Urine Using Ultra Performance Liquid Chromatography/Quadrupole-Time-of-Flight Tandem Mass Spectrometry
| Autor: | Thais Martins Guimarães de Francisco, Flávia Lada Degaut Pontes, Roberto Pontarolo, Letícia P. Leonart, Letícia Bonancio Cerqueira, João Cleverson Gasparetto |
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| Rok vydání: | 2017 |
| Předmět: |
0301 basic medicine
Metabolite Glucuronidation Pharmaceutical Science Tandem mass spectrometry Mass spectrometry coumarin 030226 pharmacology & pharmacy Article Analytical Chemistry lcsh:QD241-441 Hydroxylation 03 medical and health sciences chemistry.chemical_compound 0302 clinical medicine Sulfation lcsh:Organic chemistry Biotransformation Coumarins Drug Discovery high pressure liquid Physical and Theoretical Chemistry humans Chromatography High Pressure Liquid mass spectrometry Chromatography Molecular Structure Organic Chemistry Coumarin urine 030104 developmental biology chemistry Biochemistry Chemistry (miscellaneous) Spectrometry Mass Matrix-Assisted Laser Desorption-Ionization chromatography Molecular Medicine metabolism |
| Zdroj: | Molecules, Vol 22, Iss 11, p 2031 (2017) Molecules; Volume 22; Issue 11; Pages: 2031 Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry |
| ISSN: | 1420-3049 |
| Popis: | Coumarin (1,2-benzopyrone) is a natural compound whose metabolism in humans was established in the 1970s. However, a new metabolite was recently identified in human plasma, indicating that the metabolism of coumarin has not been completely elucidated. To complement the knowledge of its metabolism, a rapid and sensitive method using UPLC-QTOF-MS was developed. A total of 12 metabolites was identified using MetaboLynxTM software, including eight metabolites not previously reported in human urine. The identified biotransformation included hydroxylation, glucuronidation, sulfation, methylation, and conjugation with N-acetylcysteine. The present work demonstrates that the metabolism study of coumarin was incomplete, possibly due to limitations of old techniques. The identification of eight inedited metabolites of such a simple molecule suggests that the information regarding the metabolism of other drugs may also be incomplete, and therefore, new investigations are necessary. |
| Databáze: | OpenAIRE |
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