Mechanism of Tanreqing Injection in treatment of acute lung injury based on network pharmacology and molecular docking.
10.19540/j.cnki.cjcmm.20210406.402
- Author:
Yu ZENG
1
;
Rui-Ting HAN
2
;
Qing-Wei ZHOU
2
Author Information
1. Henan University of Chinese Medicine Zhengzhou 450046, China.
2. the First Affiliated Hospital of Henan University of Chinese Medicine Zhengzhou 450099, China.
- Publication Type:Journal Article
- Keywords:
Tanreqing Injection;
acute lung injury(ALI);
molecular docking;
network pharmacology;
predictive mechanism
- MeSH:
Acute Lung Injury/genetics*;
Drugs, Chinese Herbal;
Endothelial Cells;
Humans;
Medicine, Chinese Traditional;
Molecular Docking Simulation
- From:
China Journal of Chinese Materia Medica
2021;46(15):3960-3969
- CountryChina
- Language:Chinese
-
Abstract:
This study aimed to explore the mechanism of Tanreqing Injection in the treatment of acute lung injury(ALI) based on network pharmacology and molecular docking. The active components and action targets of Tanreqing Injection were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP), PubChem, and SwissTargetPrediction databases, as well as available literature reports. The ALI-related targets were obtained from the GeneCards database and then mapped with Tanreqing Injection targets. Following the construction of "drug-component-potential target" network with Cytoscape 3.6.1, the potential targets were input into STRING to yield the protein-protein interaction(PPI) network, which was plotted using Cytoscape 3.6.1. Then the screened key targets were subjected to gene ontology(GO) and Kyoto encyclopedia of genes and genomes(KEGG) enrichment analysis based on DAVID database. The top three key targets RAC-alpha serine/threonine-protein kinase(AKT1), albumin(ALB) and interleukin-6(IL6) were docked to the top three key compounds by PyMOL and AutoDock vina. A total of 58 active components of Tanreqing Injection, 597 corresponding targets and 503 common targets shared by Tanreqing Injection and ALI were fi-gured out, with the key targets AKT1, ALB and IL6 involved. GO and KEGG enrichment analysis yielded 1 445 biological processes and 148 signaling pathways, respectively. Molecular docking verified a good binding ability of the top three key targets to the top three key compounds. The analysis based on network pharmacology and molecular docking uncovered that Tanreqing Injection directly or indirectly regulated the pulmonary capillary endothelial cells and alveolar epithelial cells via anti-inflammation, thus alleviating ALI.
