Potential components and mechanism of Liangxue Tuezi Mixture in treating Henoch-Schönlein purpura based on network pharmacology and metabolomics.
10.19540/j.cnki.cjcmm.20230117.705
- Author:
Wei-Xia LI
1
;
Shuang XU
2
;
Yu-Long CHEN
3
;
Xiao-Yan WANG
1
;
Hui ZHANG
1
;
Ming-Liang ZHANG
1
;
Wen-Juan NI
3
;
Xian-Qing REN
2
;
Jin-Fa TANG
1
Author Information
1. the First Affiliated Hospital of Henan University of Chinese Medicine Zhengzhou 450000, China Henan Province Engineering Research Center of Safety Evaluation and Risk Management of Traditional Chinese Medicine,Henan Provincial Key Laboratory for Clinical Pharmacy of Traditional Chinese Medicine,Henan Province Engineering Research Center of Clinical Application, Evaluation and Transformation of Traditional Chinese Medicine Zhengzhou 450000, China.
2. the First Affiliated Hospital of Henan University of Chinese Medicine Zhengzhou 450000, China School of Pediatrics, Henan University of Chinese Medicine Zhengzhou 450046, China.
3. School of Pharmacy, Henan University of Chinese Medicine Zhengzhou 450046, China.
- Publication Type:Journal Article
- Keywords:
Henoch-Schönlein purpura;
Liangxue Tuizi Mixture;
UPLC-Q-TOF-MS;
metabolomics;
molecular docking;
network pharmacology
- MeSH:
Animals;
Rats;
IgA Vasculitis/drug therapy*;
Network Pharmacology;
Molecular Docking Simulation;
Phosphatidylinositol 3-Kinases;
Metabolomics
- From:
China Journal of Chinese Materia Medica
2023;48(12):3327-3344
- CountryChina
- Language:Chinese
-
Abstract:
Ultra-performance liquid chromatography-quadrupole time of fight/mass spectrometry(UPLC-Q-TOF-MS) and UNIFI were employed to rapidly determine the content of the components in Liangxue Tuizi Mixture. The targets of the active components and Henoch-Schönlein purpura(HSP) were obtained from SwissTargetPrediction, Online Mendelian Inheritance in Man(OMIM), and GeneCards. A "component-target-disease" network and a protein-protein interaction(PPI) network were constructed. Gene Ontology(GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis were performed for the targets by Omishare. The interactions between the potential active components and the core targets were verified by molecular docking. Furthermore, rats were randomly assigned into a normal group, a model group, and low-, medium-, and high-dose Liangxue Tuizi Mixture groups. Non-targeted metabolomics was employed to screen the differential metabolites in the serum, analyze possible metabolic pathways, and construct the "component-target-differential metabolite" network. A total of 45 components of Liangxue Tuizi Mixture were identified, and 145 potential targets for the treatment of HSP were predicted. The main signaling pathways enriched included resistance to epidermal growth factor receptor tyrosine kinase inhibitors, phosphatidylinositol 3-kinase/protein kinase B(PI3K-AKT), and T cell receptor. The results of molecular docking showed that the active components in Liangxue Tuizi Mixture had strong binding ability with the key target proteins. A total of 13 differential metabolites in the serum were screened out, which shared 27 common targets with active components. The progression of HSP was related to metabolic abnormalities of glycerophospholipid and sphingolipid. The results indicate that the components in Liangxue Tuizi Mixture mainly treats HSP by regulating inflammation and immunity, providing a scientific basis for rational drug use in clinical practice.
