Investigation of the Chemical Constituents and Hepatic-Exposed Components of the Bupleuri Radix-Rhei Radix et Rhizoma Herbal Pair Based on UPLC-Q-Orbitrap-MS Analysis.

IF 2.6 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS
Xinyu Dai, Jie Ma, Qian Lu, Zhiyuan Huang, Xinyu He, Tongyan Jiao, Ningning Cao, Shenshen Yang
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引用次数: 0

Abstract

Background: Bupleuri Radix (BR) and Rhei Radix et Rhizoma (RR) are commonly used in combination in traditional Chinese medicine, yet the chemical basis of their compatibility and the liver-exposed constituents after oral administration remain unclear.

Objective: To systematically characterize the chemical constituents of the Bupleuri Radix-Rhei Radix et Rhizoma (BR-RR) aqueous extract and to investigate the exposed prototype components and metabolites in mouse liver after oral administration.

Methods: UPLC-Q-Orbitrap-MS was employed to comprehensively analyze the chemical constituents of the BR-RR aqueous extract and the liver-exposed components in mice after gavage administration. Compound identification was performed by integrating retention times, accurate molecular weights, and multistage MS fragmentation data.

Results: A total of 109 compounds were tentatively identified in the BR-RR aqueous extract, including anthraquinones, saponins, flavonoids, phenols, and organic acids. In mouse liver samples, 25 prototype components and 21 metabolites were tentatively characterized after oral administration, among which anthraquinones were the predominant chemical class. These findings revealed the major in vivo exposed constituents and metabolic characteristics of the BR-RR extract in the liver.

Conclusions: This study systematically characterized the chemical constituents of the BR-RR aqueous extract and elucidated its liver exposure profile in mice. The findings provide an overall view of the in vivo exposure and metabolic characteristics of the extract and offer useful reference information for quality evaluation and further investigation of its material basis.

基于UPLC-Q-Orbitrap-MS分析的柴胡-大黄及根瘤药化学成分及肝暴露成分研究
背景:柴胡(Bupleuri Radix, BR)和大黄(Rhei Radix et Rhizoma, RR)是中药中常用的联合用药,但其配伍的化学基础以及口服后暴露于肝脏的成分尚不清楚。目的:系统表征柴胡-大黄(BR-RR)水提物的化学成分,并研究其暴露的原型成分和口服给药后小鼠肝脏代谢产物。方法:采用UPLC-Q-Orbitrap-MS综合分析白芍水提物及灌胃后小鼠肝脏暴露部位的化学成分。通过整合保留时间、精确分子量和多级质谱碎片数据进行化合物鉴定。结果:共鉴定出109种化合物,包括蒽醌类、皂苷类、黄酮类、酚类、有机酸类等。在小鼠肝脏样品中,经口服后初步鉴定了25种原型成分和21种代谢物,其中蒽醌类为优势化学类。这些发现揭示了BR-RR提取物在肝脏中的主要体内暴露成分和代谢特征。结论:本研究系统表征了白藜芦醇水提物的化学成分,并阐明了其在小鼠肝脏中的暴露特征。该研究结果全面了解了该提取物的体内暴露和代谢特性,为其质量评价和物质基础的进一步研究提供了有用的参考信息。
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来源期刊
Phytochemical Analysis
Phytochemical Analysis 生物-分析化学
CiteScore
6.00
自引率
6.10%
发文量
88
审稿时长
1.7 months
期刊介绍: Phytochemical Analysis is devoted to the publication of original articles concerning the development, improvement, validation and/or extension of application of analytical methodology in the plant sciences. The spectrum of coverage is broad, encompassing methods and techniques relevant to the detection (including bio-screening), extraction, separation, purification, identification and quantification of compounds in plant biochemistry, plant cellular and molecular biology, plant biotechnology, the food sciences, agriculture and horticulture. The Journal publishes papers describing significant novelty in the analysis of whole plants (including algae), plant cells, tissues and organs, plant-derived extracts and plant products (including those which have been partially or completely refined for use in the food, agrochemical, pharmaceutical and related industries). All forms of physical, chemical, biochemical, spectroscopic, radiometric, electrometric, chromatographic, metabolomic and chemometric investigations of plant products (monomeric species as well as polymeric molecules such as nucleic acids, proteins, lipids and carbohydrates) are included within the remit of the Journal. Papers dealing with novel methods relating to areas such as data handling/ data mining in plant sciences will also be welcomed.
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