Mechanism of Huangjing Qianshi Decoction in treatment of prediabetes based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20210924.401
- Author:
Jia-Luo CAI
1
;
Xiao-Ping LI
2
;
Yi-Lin ZHU
3
;
Gui-Ming DENG
1
;
Lei YANG
1
;
Xin-Hua XIA
3
;
Gang-Qiang YI
3
;
Xin-Yu CHEN
2
Author Information
1. the First Hospital Affiliated to Hunan University of Chinese Medicine Changsha 410000, China ZHANG Zhi-guo Inheritance Studio of the National Expert of Traditional Chinese Medicine Changsha 410000, China.
2. the First Hospital Affiliated to Hunan University of Chinese Medicine Changsha 410000, China.
3. Hunan University of Chinese Medicine Changsha 410208, China.
- Publication Type:Journal Article
- Keywords:
Huangjing Qianshi Decoction;
bioinformatics;
network pharmacology;
prediabetes;
signaling pathway
- MeSH:
Drugs, Chinese Herbal/pharmacology*;
Humans;
Medicine, Chinese Traditional;
Molecular Docking Simulation;
Network Pharmacology;
Prediabetic State/genetics*
- From:
China Journal of Chinese Materia Medica
2022;47(4):1039-1050
- CountryChina
- Language:Chinese
-
Abstract:
This study analyzed the molecular mechanism of Huangjing Qianshi Decoction(HQD) in the treatment of prediabetes based on network pharmacology and molecular docking. The active components of HQD were identified and screened based on Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP, http://Lsp.nwu.edu.cn/tcmsp.php) and then the targets of the components and the genes related to prediabetes were retrieved, followed by identifying the common targets of the decoction and the disease. The medicinal component-target network was constructed by Cytoscape to screen key components. The protein-protein interaction(PPI) network was established by STRING and hub genes were identified by Cytoscape-CytoNCA, followed by Gene Ontology(GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) of the hub genes with R-clusterProfi-ler. Thereby, the possible signaling pathways were predicted and the molecular mechanism was deduced. A total of 79 active components of HQD and 785 diabetes-related targets of the components were screened out. The hub genes mainly involved the GO terms of tricarboxylic acid cycle, peptide binding, amide binding, hydrolase activity, and kinase activity regulation, and the KEGG pathways of AGE-RAGE signaling pathway, TNF signaling pathway, AMPK signaling pathway, IL-17 signaling pathway, and insulin signaling pathway. Western blot result showed that HQD-containing serum significantly reduced the expression of AKT1, AGE, and RAGE proteins in insulin resistance model cells. HQD's treatment of prediabetes is characterized by multiple pathways, multiple targets, and multiple levels. The main mechanism is that the components zhonghualiaoine, baicalein, kaempferol, and luteolin act on AKT1 and inhibit the AGE-RAGE axis.
