Mechanism of Jinqi Jiangtang Tablets in treatment of pancreatic β cell dysfunction based on network pharmacology and molecular docking technology.
10.19540/j.cnki.cjcmm.20210713.402
- Author:
Ming-Yue HUANG
1
;
Zhen-Zhen WANG
2
;
Jiang-Lan LONG
2
;
Xin-Yu YANG
3
;
Yi ZHANG
4
;
Dan YAN
2
Author Information
1. School of Pharmacy, Chengdu University of Traditional Chinese Medicine Chengdu 610075, China.
2. Beijing Friendship Hospital, Capital Medical University Beijing 100050, China.
3. Beijing Key Laboratory of Bio-Characteristic Profiling for Evaluation of Rational Drug Use, Beijing Shijitan Hospital, Capital Medical University Beijing 100038, China.
4. Chongqing Institute for Food and Drug Control Chongqing 401121, China.
- Publication Type:Journal Article
- Keywords:
Jinqi Jiangtang Tablets;
mechanism of action;
molecular docking;
network pharmacology;
pancreatic β cell function
- MeSH:
Drugs, Chinese Herbal/pharmacology*;
Insulin-Secreting Cells;
Medicine, Chinese Traditional;
Molecular Docking Simulation;
Tablets;
Technology
- From:
China Journal of Chinese Materia Medica
2021;46(20):5341-5350
- CountryChina
- Language:Chinese
-
Abstract:
The present study investigated the therapeutic efficacy and potential mechanism of Jinqi Jiangtang Tablets(JQJT) on pancreatic β cell dysfunction based on network pharmacology and molecular docking technology. TCMSP platform was used to retrieve the chemical components and targets of the three Chinese herbal medicines of JQJT. The genes were converted to gene symbol by the UniProt, and its intersection with targets related to pancreatic β cell function in GeneCards and CTD databases was obtained. The drugs, active components and common targets were imported into Cytoscape 3.8.2 to plot the drug-component-target network. The main effective components and targets were obtained by software analysis. The drug targets and targets related to pancreatic β cell function were imported separately into the STRING platform for the construction of protein-protein interaction(PPI) networks. The two PPI networks were merged by Cytoscape 3.8.2 and the key targets were obtained by plug-in CytoNCA. The targets obtained from drug-component-target network and PPI networks were imported into DAVID for GO analysis and KEGG enrichment analysis. AutoDock was used to carry out molecular docking of main active components and core targets and Pymol was used to plot the molecular docking diagram. The results showed that there were 371 active components and 203 targets related to JQJT and 2 523 targets related to pancreatic β cell damage, covering 136 common targets. The results revealed core targets(such as PTGS2, PTGS1, NOS2, ESR1 and RXRA) and effective key components(such as quercetin, kaempferol, luteolin, β-carotene and β-sitosterol). KEGG enrichment analysis indicated that apoptosis, inflammation, and other signaling pathways were mainly involved. Molecular docking results showed that the main active components could spontaneously bind to the targets. This study preliminarily revealed the mechanism of JQJT in improving pancreatic β cell damage through multi-component, multi-target and multi-pathway, and provided a theoretical basis for JQJT in the treatment of pancreatic β cell dysfunction.
