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Global characterization of chemical compounds in Shidan granule and their metabolites in rat plasma using ultra-high-performance liquid chromatography coupled with quadrupole-time of flight mass spectrometry.

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Shidan granule is an in-hospital traditional Chinese medicines prescription with obvious clinical effect in the treatment of chronic atrophic gastritis. Charactering the compounds of Shidan granule and exploring the absorbed… Click to show full abstract

Shidan granule is an in-hospital traditional Chinese medicines prescription with obvious clinical effect in the treatment of chronic atrophic gastritis. Charactering the compounds of Shidan granule and exploring the absorbed prototype constituents and metabolites in blood are significant to understand its effective compounds. In this work, a reliable approach based on ultra high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry was performed for systematic analysis of chemical substances of Shidan granule and their metabolites in rat plasma. The compounds were rapidly characterized using the integrated filtering methods, including mass defect filtering, neutral loss filtering and diagnostic fragment ions filtering. As a result, 87 compounds were tentatively or unambiguously characterized. In rat plasma, a total of 79 components, including 21 prototype constituents and 58 metabolites, were preliminarily determined. And flavonoids-related, phenolic acids-related, saponins-related and terpenoids-related compounds were the main precursors of these metabolites. Phase I reactions (methylation, demethylation, hydroxylation, hydrogenation and oxidation) and phase II reactions (glucuronidation, glucosidation, and sulfation) were observed as the major metabolic pathways of Shidan granule. It is the first comprehensive study on metabolism of Shidan granule in vivo, which could offer a solid scientific basis for exploring the multiple effects and therapeutic mechanism of Shidan granule. This article is protected by copyright. All rights reserved.

Keywords: compounds shidan; ultra high; rat plasma; shidan granule; granule; mass

Journal Title: Journal of separation science
Year Published: 2022

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