Identification and validation of targets of swertiamarin on idiopathic pulmonary fibrosis through bioinformatics and molecular docking-based approach
- Open Access
- 01-12-2023
- Idiopathic Pulmonary Fibrosis
- Research
Published in:
- Authors
- Jun Chang
- Shaoqing Zou
- Yiwen Xiao
- Du Zhu
- Published in
- BMC Complementary Medicine and Therapies | Issue 1/2023
Abstract
Background
Swertiamarin is the main hepatoprotective component of Swertiapatens and has anti-inflammatory and antioxidation effects. Our previous study showed that it was a potent inhibitor of idiopathic pulmonary fibrosis (IPF) and can regulate the expressions of α-smooth muscle actin (α-SMA) and epithelial cadherin (E-cadherin), two markers of the TGF-β/Smad (transforming growth factor beta/suppressor of mothers against decapentaplegic family) signaling pathway. But its targets still need to be investigated. The main purpose of this study is to identify the targets of swertiamarin.
Methods
GEO2R was used to analyze the differentially expressed genes (DEGs) of GSE10667, GSE110147, and GSE71351 datasets from the Gene Expression Omnibus (GEO) database. The DEGs were then enriched with Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis for their biological functions and annotated terms. The protein-protein interaction (PPI) network was constructed to identify hub genes. The identified hub genes were predicted for their bindings to swertiamarin by molecular docking (MD) and validated by experiments.
Results
76 upregulated and 27 downregulated DEGs were screened out. The DEGs were enriched in the biological function of cellular component (CC) and 7 cancer-related signaling pathways. Three hub genes, i.e., LOX (lysyl oxidase), COL5A2 (collagen type V alpha 2 chain), and CTGF (connective tissue growth factor) were selected, virtually tested for the interactions with swertiamarin by MD, and validated by in vitro experiments.
Conclusion
LOX, COL5A2, and CTGF were identified as the targets of swertiamarin on IPF.
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- Title
- Identification and validation of targets of swertiamarin on idiopathic pulmonary fibrosis through bioinformatics and molecular docking-based approach
- Authors
-
Jun Chang
Shaoqing Zou
Yiwen Xiao
Du Zhu
- Publication date
- 01-12-2023
- Publisher
- BioMed Central
- Published in
-
BMC Complementary Medicine and Therapies / Issue 1/2023
Electronic ISSN: 2662-7671 - DOI
- https://doi.org/10.1186/s12906-023-04171-w
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