Dataset Information

Characterization of the global metabolic profile of liquiritin in rat plasma, urine, bile and feces based on UHPLC-FT-ICR MS.

ABSTRACT: Liquiritin is a major flavonoid in Radix Glycyrrhizae and it has been reported to possess various pharmacological activities. In the present work, a strategy based on an ultra high performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry (UHPLC-FT-ICR MS) method was proposed to systematically characterize the in vivo metabolites of liquiritin for the first time. After oral administration of liquiritin to rats in a single dose of 120 mg kg^-1, the rat plasma, urine, feces and bile samples were collected and used to discover metabolites. As a result, besides the parent drug, a total of 76 metabolites (6 phase I and 70 phase II metabolites) of liquiritin were detected and tentatively identified. It was indicated that the metabolic pathways of liquiritin in rats included oxidation, reduction, deglycosylation, isomerization, methylation, glucuronidation and sulfation. In summary, the results could provide valuable information regarding the metabolism of liquiritin in rats, which could contribute to a better understanding of its action mechanism.

SUBMITTER: Ma L

PROVIDER: S-EPMC9078172 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature

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Characterization of the global metabolic profile of liquiritin in rat plasma, urine, bile and feces based on UHPLC-FT-ICR MS.

Ma Li L Zhao Yangyang Y Zhang Xiaoxue X Liu Tianfeng T Han Fei F Yin Ran R

RSC advances 20180205 11

Liquiritin is a major flavonoid in <i>Radix Glycyrrhizae</i> and it has been reported to possess various pharmacological activities. In the present work, a strategy based on an ultra high performance liquid chromatography combined with Fourier transform ion cyclotron resonance mass spectrometry (UHPLC-FT-ICR MS) method was proposed to systematically characterize the <i>in vivo</i> metabolites of liquiritin for the first time. After oral administration of liquiritin to rats in a single dose of 12 ...[more]

PMID: 35539575

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Project description:BackgroundMicrobiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking.ResultsHere, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses.ConclusionApplication of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User's guide of MetaboDirect are freely available through ( https://github.com/Coayala/MetaboDirect ) and ( https://metabodirect.readthedocs.io/en/latest/ ), respectively. Video Abstract.

Dataset Information

Characterization of the global metabolic profile of liquiritin in rat plasma, urine, bile and feces based on UHPLC-FT-ICR MS.

Publications

Characterization of the global metabolic profile of liquiritin in rat plasma, urine, bile and feces based on UHPLC-FT-ICR MS.

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