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Molecules 2016, 21(9), 1209; doi:10.3390/molecules21091209

Detection of 191 Taxifolin Metabolites and Their Distribution in Rats Using HPLC-ESI-IT-TOF-MSn

State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University Health Science Center, Beijing 100191, China
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Academic Editor: Derek J. McPhee
Received: 5 July 2016 / Revised: 4 September 2016 / Accepted: 6 September 2016 / Published: 13 September 2016
(This article belongs to the Section Metabolites)
View Full-Text   |   Download PDF [4284 KB, uploaded 13 September 2016]   |  

Abstract

Taxifolin is a ubiquitous bioactive constituent of foods and herbs. To thoroughly explore its metabolism in vivo, an HPLC-ESI-IT-TOF-MSn method combined with specific metabolite detection strategy was used to detect and identify the metabolites of taxifolin in rats. Of the 191 metabolites tentatively identified, 154 were new metabolites, 69 were new compounds and 32 were dimers. This is the first report of the in vivo biotransformation of a single compound into more than 100 metabolites. Furthermore, acetylamination and pyroglutamic acid conjugation were identified as new metabolic reactions. Seventeen metabolites were found to have various taxifolin-related bioactivities. The potential targets of taxifolin and 63 metabolites were predicted using PharmMapper, with results showing that more than 60 metabolites have the same five targets. Metabolites with the same fragment pattern may have the same pharmacophore. Thus these metabolites may exert the same pharmacological effects as taxifolin through an additive effect on the same drug targets. This observation indicates that taxifolin is bioactive not only in the parent form, but also through its metabolites. These findings enhance understanding of the metabolism and effective forms of taxifolin and may provide further insight of the beneficial effects of taxifolin and its derivatives. View Full-Text
Keywords: taxifolin; metabolites; HPLC-ESI-IT-TOF-MSn; in vivo; additive effect at the same target taxifolin; metabolites; HPLC-ESI-IT-TOF-MSn; in vivo; additive effect at the same target
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Yang, P.; Xu, F.; Li, H.-F.; Wang, Y.; Li, F.-C.; Shang, M.-Y.; Liu, G.-X.; Wang, X.; Cai, S.-Q. Detection of 191 Taxifolin Metabolites and Their Distribution in Rats Using HPLC-ESI-IT-TOF-MSn. Molecules 2016, 21, 1209.

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