Affiliation:
1. Chongqing Key Laboratory of Industrial Fermentation Microorganism, Chongqing University of Science and Technology,
Chongqing, 401331, China
2. Department of Chemistry and Chemical Engineering, Chongqing University of Science
and Technology, Chongqing, 401331, China;
3. Institute of Medicinal Plant Cultivation, Chongqing, 408435, China
Abstract
Abstract:
Based on network pharmacology methods and molecular docking technology, the targets of
action of tauroursooxycholic acid (TUDCA) were predicted using the Swiss Target Prediction database.
In addition, the potential TUDCA anti-inflammatory targets were obtained via mapping with antiinflammatory targets in the Genecards database. Protein-protein interactions (PPI) and ingredient-targetpathway (ITP) networks were constructed using the STRING database and Cytoscape software. The GO
and KEGG enrichment analysis of potential targets were carried out via the David database, and the combination of TUDCA with the key targets were verified via molecular docking. The network showed that
81 targets were involved in the positive regulation of transcription by RNA polymerase II promoter, signal transduction, protein phosphorylation and another 259 biological processes. This highlighted the adjustment of 61 signaling pathways, such as cancer-related pathways, PI3K-Akt, and cAMP. Three key
anti-inflammatory targets, MAPK3, SRC and EGFR, were screened using network analysis. The results
from the molecular docking analysis showed that the TUDCA molecule had good binding activities with
the three key targets. The study also found that TUDCA exhibited multi-target and multi-pathway characteristics, and preliminary explorations indicated anti-inflammatory mechanisms
Background:
Non-steroidal anti-inflammatory drugs, such as aspirin, have achieved good results in relation to treating inflammation, but these drugs are often accompanied by side effects. Tauroursodeoxycholic acid (TUDCA) has achieved good inflammation treatment results, with its unique ingredients, natural, safe and effective characteristics, and has therefore become a widely used anti-inflammatory drug.
Objective:
To explore the anti-inflammatory mechanism of TUDCA and lay a foundation for the further
development of TUDCA anti-inflammatory drugs
Methods:
Based on network pharmacology methods and molecular docking technology, the targets of
action of tauroursooxycholic acid (TUDCA) were predicted using the Swiss Target Prediction database.
In addition, the potential TUDCA anti-inflammatory targets were obtained via mapping with antiinflammatory targets in the Genecards database. Protein-protein interactions (PPI) and ingredient-targetpathway (ITP) networks were constructed using the STRING database and Cytoscape software. The GO
and KEGG enrichment analysis of potential targets was carried out via the David database, and the combination of TUDCA with the key targets was verified via molecular docking.
Results:
The network showed that 81 targets were involved in the positive regulation of transcription by
RNA polymerase II promoter, signal transduction, protein phosphorylation and another 259 biological
processes. This highlighted the adjustment of 61 signaling pathways, such as cancer-related pathways,
PI3K-Akt, and cAMP. Three key anti-inflammatory targets, MAPK3, SRC and EGFR, were screened
using network analysis. The results from the molecular docking analysis showed that the TUDCA molecule had good binding activities with the three key targets
Conclusion:
The study also found that TUDCA exhibited multi-target and multi-pathway characteristics,
and preliminary explorations indicated anti-inflammatory mechanisms
Publisher
Bentham Science Publishers Ltd.
Subject
Drug Discovery,Pharmaceutical Science,Molecular Medicine
Cited by
1 articles.
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