Identification of major bioactive components and metabolites of Gandou decoction in rat urine by an integrative approach based on UPLC-Q-TOF-MSE coupled with xenometabolomics analytical platform
10.16438/j.0513-4870.2019-0796
- VernacularTitle:UPLC-Q-TOF-MSE结合外源性代谢组学方法分析鉴定肝豆汤在大鼠尿液中的代谢产物
- Author:
Xue-yan ZHANG
1
;
Yi LIU
2
;
Huan WU
1
;
Shi-jian CAO
3
;
Peng WU
1
;
An ZHOU
1
Author Information
1. The Experimental Research Center, Anhui Province Key Laboratory of Chinese Medicinal Formula, Anhui University of Chinese Medicine, Hefei 230038, China
2. Waters Corporation (China), Shanghai 201206, China
3. The First Affiliated Hospital of Anhui University of Chinese Medicine, Hefei 230031, China
- Publication Type:Research Article
- Keywords:
Gandou decoction;
xenometabolomics;
UPLC-Q-TOF-MSE;
Wilson disease;
metabolite
- From:
Acta Pharmaceutica Sinica
2020;55(5):971-978
- CountryChina
- Language:Chinese
-
Abstract:
To identify major bioactive components and metabolites of Gandou decoction (GDD) in urine of normal and copper-laden rats, an integrative approach that ultra-performance liquid chromatography quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MSE) coupled with xenometabolomics analytical platform was established. Mass spectral data information about retention time, accurate m/z and ionic strength of rat urine samples was performed under positive and negative ion modes. Unsupervised principal components analysis (PCA) and supervised orthogonal partial least-squared discriminant analysis (OPLS-DA) were used to reveal the differential ions. As a result, a total of 77 compounds including 45 prototypes and 32 metabolites in urine were detected. Results indicated that anthraquinones, alkaloids and tetracyclic triterpenoids and flavonoids were the main chemical components of GDD in rat urine; the main metabolic pathways of these compounds in rat urine mainly include hydroxyl, methylation, sulfating, glucuronidation, and so on. UPLC-QTOF-MSE coupled with xenometabolomics analytical platform is fast and efficient so that facilitates authentication of the material basis of Chinese herb compound in vivo, can also be used as an effective tool for ascertaining trace bioactive components in vivo. The animal experiments were approved by the Experimental Animal Ethics Committee of Anhui University of Chinese Medicine (No. 2019025).
