Comprehensive Study of In vivo and In vitro Metabolites of Cycloastragenol Based on UHPLC-Q-Exactive Orbitrap Mass Spectrometer

Author:

Li Huajian12ORCID,Wang Shaoping1,Wang Hong2,Li Haoran2,Li Yanan2,Dong Pingping1,Lan Xianming1,Zhang Jiayu1,Dai Long1

Affiliation:

1. School of Pharmacy, Binzhou Medical University, Yantai 264003, China

2. School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan 250300, China

Abstract

Background: Cycloastragenol (CAG) is a sapogenin derived from the main bioactive constituents of Astragali Radix (AR). However, the current research on CAG metabolism in vivo and in vitro is still inadequate, and the metabolite cluster is incomplete due to incomplete analysis strategy. Objective: The objective of this study was to screen and identify the metabolic behavior of CAG in vivo and in vitro. Methods: A simple and rapid analysis strategy based on UHPLC-Q-Exactive Orbitrap mass spectrometry combined with data-mining processing technology was developed and used to screen and identify CAG metabolites in rat body fluids and tissues after oral administration. Results: As a result, a total of 82 metabolites were fully or partially characterized based on their accurate mass, characteristic fragment ions, retention times, corresponding Clog P values, and so on. Among the metabolites, 61 were not been reported in previous reports. These metabolites (6 metabolites in vitro and 91 in vivo) were generated through reactions of hydroxylation, glucuronidation, sulfation, hydrogenation, hydroxylation, demethylation, deisopropylation, dehydroxylation, ring cleavage, and carboxyl substitution and their composite reactions, and the hydroxylation might be the main metabolic reaction of CAG. In addition, the characteristic fragmentation pathways of CAG were summarized for the subsequent metabolite identification. Conclusion: The current study not only clarifies the metabolite cluster-based and metabolic regularity of CAG in vivo and in vitro, but also provides ideas for metabolism of other saponin compounds.

Funder

Shandong Province Chinese herbal medicine and decoction piece standard research topic

Yantai campus integration development project

Binzhou Medical University Scientific Research Fund for High-level Talents

Young and Creative Team for Talent Introduction of Shandong Province

Youth Project of Shandong Provincial Natural Fund

Medical and Health Technology Development Plan at Shandong Province

Key project at central government level: The ability establishment of sustainable use for valuable Chinese medicine resources

Publisher

Bentham Science Publishers Ltd.

Subject

Clinical Biochemistry,Pharmacology

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