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基于超高效液相色谱-轨道阱质谱联用技术对黄芪-丹参药对体外和体内化学成分的系统表征

Systematic Characterization of the Chemical Constituents of in Vitro and in Vivo of Astragali Radix-Salvia miltiorrhiza Herb Pair by Ultra-High-Performance-Liquid Chromatography-Orbitrap Mass Spectrometry.

作者信息

Shu Lexin, Zhang Shumin, Qian Jun, Liu Sitong, Qiu Huixin, Zhao Qiduo, Deng Yanru, Li Yubo

机构信息

School of Chinese Materia Medica, Tianjin University of Traditional Chinese Medicine, Tianjin, China.

出版信息

Rapid Commun Mass Spectrom. 2025 Apr 30;39(8):e9977. doi: 10.1002/rcm.9977.

Abstract

RATIONALE

Astragali radix-Salvia miltiorrhiza (AR-SM) is an herb pair with good therapeutic effects and is widely used. In this study, the in vitro and in vivo components of AR-SM were quickly classified and identified based on UHPLC-orbital mass spectrometry. This provided a basis for clarifying the bioactive substances after compatibility of AR and SM.

METHODS

Firstly, the related literature of AR and SM were searched through PubMed and CNKI databases, and the molecular formula, retention time, mass spectrum fragments, and other information of its chemical components were sorted out to establish a component database. Extract, blank plasma and drug-containing plasma were analyzed by UHPLC orbital mass spectrometry technology, and then the data were processed by Xcalibur software. Combined with databases and literature, the in vivo and in vitro components of AR-SM were comprehensively analyzed.

RESULTS

A total of 142 components were identified in the extract of AR-SM. The cleavage patterns of flavonoids, terpenoids, phenolic acids, organic acids, saponins, and phenylpropanoids were summarized. Meanwhile, 89 compounds were tentatively identified in rat plasma, including 73 prototypes and 16 metabolites. The main metabolic pathways included oxidation, reduction, methylation, glucuronidation, and sulfation.

摘要

理论依据

黄芪 - 丹参是一对具有良好治疗效果且被广泛应用的药对。本研究基于超高效液相色谱 - 轨道阱质谱对黄芪 - 丹参的体外和体内成分进行了快速分类与鉴定。这为阐明黄芪与丹参配伍后的生物活性物质提供了依据。

方法

首先通过PubMed和CNKI数据库检索黄芪和丹参的相关文献,整理其化学成分的分子式、保留时间、质谱碎片等信息,建立成分数据库。采用超高效液相色谱 - 轨道阱质谱技术分析提取物、空白血浆和含药血浆,然后用Xcalibur软件处理数据。结合数据库和文献,对黄芪 - 丹参的体内和体外成分进行综合分析。

结果

在黄芪 - 丹参提取物中总共鉴定出142种成分。总结了黄酮类、萜类、酚酸类、有机酸类、皂苷类和苯丙素类的裂解模式。同时,在大鼠血浆中初步鉴定出89种化合物,包括73种原型和16种代谢产物。主要代谢途径包括氧化、还原、甲基化、葡萄糖醛酸化和硫酸化。

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