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基于超高效液相色谱-四极杆飞行时间质谱联用技术对大鼠口服黄芩提取物后胆汁、尿液和粪便中主要黄酮类化合物及其代谢产物的筛查与鉴定

UPLC-Q-TOF/MS-based screening and identification of the main flavonoids and their metabolites in rat bile, urine and feces after oral administration of Scutellaria baicalensis extract.

作者信息

Du Le-yue, Qian Da-wei, Shang Er-xin, Liu Pei, Jiang Shu, Guo Jian-ming, Su Shu-lan, Duan Jin-ao, Xu Jun, Zhao Min

机构信息

Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210023, PR China.

Jiangsu Collaborative Innovation Center of Chinese Medicinal Resources Industrialization, Nanjing University of Chinese Medicine, Nanjing 210023, PR China.

出版信息

J Ethnopharmacol. 2015 Jul 1;169:156-62. doi: 10.1016/j.jep.2015.04.039. Epub 2015 Apr 27.

Abstract

ETHNOPHARMACOLOGICAL RELEVANCE

Traditional Chinese Medicines (TCMs) are increasingly used in combination with Western medicine. Scutellaria baicalensis Georgi (Lamiaceae) is a widely used TCM in treating various diseases. However, the in vivo metabolism of its main bioactive flavonoids, baicalin, baicalein, wogonoside and wogonin, needs further study.

MATERIALS AND METHODS

A systematic method based on ultra-performance liquid chromatography/quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS) technique combined with Metabolynx(TM) software was developed to speculate the metabolites and excretion profiles of the main flavonoids in S. baicalensis extract in rats bile, urine and feces samples after oral administration of the extract.

RESULTS

Four parent components and a total of 15 metabolites were tentatively detected in vivo. All metabolites were detected including sulfate and glucuronide conjugates, hydroxylated, methylated, acetylated and deoxygenated products. Twelve metabolites were from the rat urine, five from the feces and two from the bile. Among them, several products were reported firstly.

CONCLUSION

The research provided useful information for further study of the pharmacology and mechanism of action of S. baicalensis extract in vivo and a proposed method which could develop an integrated template approach to analyze screening and identification of biological samples after oral administration of TCMs.

摘要

民族药理学相关性

中药越来越多地与西药联合使用。黄芩(唇形科)是一种广泛用于治疗各种疾病的中药。然而,其主要生物活性黄酮类化合物黄芩苷、黄芩素、汉黄芩苷和汉黄芩素的体内代谢情况仍需进一步研究。

材料与方法

建立了一种基于超高效液相色谱/四极杆-飞行时间质谱(UPLC-Q-TOF/MS)技术并结合Metabolynx™软件的系统方法,用于推测大鼠口服黄芩提取物后胆汁、尿液和粪便样本中主要黄酮类化合物的代谢产物及排泄情况。

结果

体内初步检测到4种母体成分和总共15种代谢产物。检测到的所有代谢产物包括硫酸酯和葡萄糖醛酸苷缀合物、羟基化、甲基化、乙酰化和脱氧产物。12种代谢产物来自大鼠尿液,5种来自粪便,2种来自胆汁。其中,有几种产物为首次报道。

结论

该研究为进一步研究黄芩提取物的体内药理学和作用机制提供了有用信息,并提出了一种可以开发综合模板方法来分析中药口服后生物样品的筛选和鉴定方法。

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