北五味子在胸主动脉瘤发生发展中作用机制的网络药理学和分子对接技术分析

doi:10.13481/j.1671-587X.20220219

Abstract

Abstract: Objective

To investigate the effect of Schisandrae Chinensis Fructus（SCF）in the occurrence and development of thoracic aortic aneurysm（TAA）， and to clarify its possible mechanism. Methords：The informations from multiple databases of Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform（TCMSP），Uniprot， Swiss TargetPrediction，CTD，GeneCards， OpenTargets， and OMIM were integrated to obtain the potential targets for the treatment of TAA by SCF； the protein-protein interaction （PPI） network was constructed by String database and Cytoscape software， and the key targets of SCF acted on TAA were selected by topological analysis； Omicshare online analysis platform was used to conduct GO and KEGG enrichment analysis on the potential targets； the gene expression profile of rat smooth muscle cells stimulated by Schisandra chinese（turcz.） baill （SchB）， the main active ingredients of SCF was obtained from GEO database to verify the expression levels of core targets； Autodock software was used for molecular docking validation of key targets.

Results

A total of 46 potential targets of SCF protected against TAA were obtained； GO enrichment analysis mainly involved biological processes such as cell proliferation， catalytic activity， protein metabolic process and so on； KEGG enrichment analysis mainly involved three signal pathways， including vascular endothelial growth factor （VEGF）， receptor tyrosine-protein kinase （ErbB） and hypoxia-inducible factor 1（HIF-1）.The 10 core targets such as signal transducer and activator of transcription 3 （STAT3） and matrix metalloproteinase 9 （MMP9） were obtained by topological network analysis. The results of gene expression profile showed that compared with TGF-β1 group， the expression levels of core target genes STAT3 and MMP9 in TGF-β1-SchB group were significantly down regulated（P<0.05）.

Conclusion

SchB， the main active component of SCF， may inhibit the expression of MMP9 in vascular smooth muscle by targeting STAT3 and other signal pathways， so as to reduce the degradation of extracellular matrix in aorta and inhibit the occurrence and development of TAA.

Key words: Network pharmacology, Schisandrae Chinensis Fructus, Thoracic aortic aneurysm, Molecular docking

CLC Number:

R543.1

Yan LI,Yue HOU,Xingwei MU,Bingqing LIU,Hong WAN,Chang LIU,Wei XIA. Network pharmacology and molecular docking analysis on mechanism of Schisandrae Chinensis Fructus in occurrence and development of thoracic aortic aneurysm[J].Journal of Jilin University(Medicine Edition), 2022, 48(2): 414-425.

Figures/Tables 14

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Network pharmacology and molecular docking analysis on mechanism of Schisandrae Chinensis Fructus in occurrence and development of thoracic aortic aneurysm

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