Identification of chemical components based on UPLC-Q-TOF-MS/MS and network pharmacology of Zhuru Decoction.
10.19540/j.cnki.cjcmm.20210401.302
- Author:
Tian-Yu HE
1
;
Lu WANG
1
;
Lin LI
1
;
Lian-Lin SU
1
;
Hui XIE
1
;
Xiao-Li ZHAO
1
;
Jing MAO
1
;
Yong GUO
2
;
Jin-Cai HOU
2
;
Chun-Qin MAO
1
;
Tu-Lin LU
1
;
Xi MEI
1
Author Information
1. School of Pharmacy, Nanjing University of traditional Chinese medicine Nanjing 210023, China.
2. Shenwei Pharmaceutical Group Co., Ltd. Shijiazhuang 051430, China.
- Publication Type:Journal Article
- Keywords:
UPLC-Q-TOF-MS/MS;
Zhuru Decoction;
chemical components;
classic prescription;
core target;
glycyrrhizin;
network pharmacology;
puerarin
- MeSH:
Humans;
Tandem Mass Spectrometry;
Chromatography, High Pressure Liquid;
Drugs, Chinese Herbal/chemistry*;
Network Pharmacology;
Vomiting
- From:
China Journal of Chinese Materia Medica
2022;47(19):5235-5245
- CountryChina
- Language:Chinese
-
Abstract:
This study analyzed the main chemical components of Zhuru Decoction via ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS), and then predicted the mechanism of Zhuru Decoction in clearing heat, resolving phlegm, detoxifying, and treating vomiting and alcohol-related vomiting caused by heat in stomach based on network pharmacology. The gradient elution was conducted in Agilent ZORBAX extend-C_(18) column(2.1 mm×100 mm, 1.8 μm) with the mobile phase of 0.1% formic acid aqueous solution(A)-acetonitrile(B) at a flow rate of 0.3 mL·min~(-1) and the column temperature of 35 ℃. The MS adopted the positive and negative ion mode of electrospray ionization(ESI), and the data were collected in the scanning range of m/z 100-1 500. A total of 98 compounds in Zhuru Decoction were identified via BATMAN, SYMMAP, TCMSP, and relevant literature, including 36 flavonoids, 7 triterpenoids, 8 gingerols, 20 organic acids, 5 amino acids, and 22 other compounds. On the basis of the available studies, 9 components were selected as index components, and the protein-protein interaction(PPI) network of the common targets was established with STRING 11.0. Finally, 10 core targets associated with the pharmacodynamic effect were screened out. This study established the UPLC-Q-TOF-MS/MS method for identifying the chemical components in the classic prescription Zhuru Decoction, and employed network pharmacology to explore the core targets of its efficacy, which provided a refe-rence for the quality control and the research of the pharmacodynamic substances of Zhuru Decoction.
