Pharmacodynamic substances and mechanism of action of Xiaoer Chiqiao Qingre Granules in treatment of acute upper respiratory tract infection in children.
10.19540/j.cnki.cjcmm.20220614.302
- Author:
Guan-Zheng LU
1
;
Yan-Jun YANG
1
;
Mao-Mao ZHU
1
;
Jun LIU
2
;
Jing ZHAO
2
;
Xiao-Bin JIA
1
;
Xiang-Jun ZHU
3
;
Liang FENG
1
Author Information
1. State Key Laboratory of Natural Medicine Active Components and Pharmacodynamics, School of Traditional Chinese Pharmacy,China Pharmaceutical University Nanjing 211198, China.
2. Jiangsu Key Laboratory of Pediatric Chinese Medicine and Characteristic Preparations, Jumpcan Pharmaceutical Co., Ltd. Taixing 225400, China.
3. Jiangsu Health Development Research Center, National Health and Family Planning Commission Contraceptives Adverse Reaction Surveillance Center Nanjing 210036, China.
- Publication Type:Journal Article
- Keywords:
UPLC-Q-TOF-MS;
Xiaoer Chiqiao Qingre Granules;
acute upper respiratory tract infection;
mechanism of action;
network pharmacology;
pharmacodynamic substances
- MeSH:
Child;
Humans;
Chromatography, Liquid;
Molecular Docking Simulation;
Phosphatidylinositol 3-Kinases/genetics*;
Proto-Oncogene Proteins c-akt;
Tandem Mass Spectrometry;
Respiratory Tract Infections/drug therapy*;
Artemisinins;
Drugs, Chinese Herbal/pharmacology*
- From:
China Journal of Chinese Materia Medica
2022;47(21):5717-5734
- CountryChina
- Language:Chinese
-
Abstract:
This study aimed to forecast the main active components of Xiaoer Chiqiao Qingre Granules(XECQ) in the treatment of children with acute upper respiratory tract infection by UPLC-MS, network pharmacology, molecular docking and cell biology, and explore the mechanism of action, so as to provide certain reference for the research on its pharmacodynamics substances and mechanism of action. The main chemical components of XECQ were comprehensively analyzed by UPLC-Q-TOF-MS combined with UNIFI platform. According to the MS1 and MS2 data of XECQ, comparison and identification were carried out in combination with reference substances and reference articles. On this basis, the chemical components of XECQ were targeted and enriched by network pharmacology, to screen the main pharmacodynamic substances of XECQ in the treatment of acute upper respiratory tract infection in children and discuss the mechanism of action. In addition, the binding degree of core targets and main active components was verified by molecular docking. The results revealed that 202 compounds were identified from XECQ, among which 22 were the main active components, including obovatol, dihydroartemisinin, and longikaurin A. Enrichment analysis of the key target pathways showed that XECQ played its role in the treatment of children with acute upper respiratory tract infection mainly by regulating PI3K/Akt signaling pathway and MAPK signaling pathway. In the experimental verification by Western Blot(WB), it was found that XECQ significantly inhibited the expression of PI3K and Akt, which was consistent with the prediction results of network pharmacology. In conclusion, the potential pharmacodynamic substances of XECQ were obovatol, dihydroartemisinin, longikaurin A and other 19 active components. It treated children with acute upper respiratory tract infection by regulating the PI3K/Akt signaling pathway.
