Article ; Online: Network pharmacology-based approach to research the effect and mechanism of Si-Miao-Yong-An decoction against thromboangiitis obliterans.
2023 Volume 55, Issue 1, Page(s) 2218105
Abstract: Background: Si-Miao-Yong-An decoction (SMYAD) is a conventional therapeutic formula for treat ...
Abstract | Background: Si-Miao-Yong-An decoction (SMYAD) is a conventional therapeutic formula for treat thromboangiitis obliterans (TAO), consisting of four Chinese herbs: Methods: Components, as well as potential targets of SMYAD in TAO therapy, were downloaded from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Subsequently, with the Database for Annotation, Visualization, and Integrated Discovery (DAVID) server, the gene ontology (GO) biological processes and the Kyoto encyclopedia of genes and genomes (KEGG) signalling pathways of the targets enrichment were performed. Next, based on STRING online database, the protein interaction network of vital targets was built and analysed. Molecular docking and calculation of the binding affinity were performed using AutoDock. The PyMOL software was employed to observe docking outcomes of active compounds and protein targets. Based on the predicted outcomes of network pharmacology, Results: In the network pharmacology analysis, we obtained 105 chemical components in SMYAD and 24 therapeutic targets. We found that the mechanism SMYAD in TAO therapy was primarily associated with inflammation and angiogenesis by constructing multiple networks. Quercetin, vestitol and beta-sitosterol were important compounds, and interleukin-6 (IL6), MMP9, and VEGFA were key targets. According to molecular docking, active compounds (quercetin, vestitol and beta-sitosterol) and targets (IL6, MMP9 and VEGFA) showed good binding interactions. In Conclusions: This study showed that SMYAD improves TAO symptoms and inhibits the development of TAO. The mechanism could be associated with anti-inflammatory and therapeutic angiogenesis. |
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MeSH term(s) | Humans ; Animals ; Rats ; Thromboangiitis Obliterans/drug therapy ; Matrix Metalloproteinase 9 ; Network Pharmacology ; Quercetin ; Endothelial Cells ; Interleukin-6 ; Lipopolysaccharides ; Molecular Docking Simulation |
Chemical Substances | si-miao-yong-an decoction ; Matrix Metalloproteinase 9 (EC 3.4.24.35) ; Quercetin (9IKM0I5T1E) ; Interleukin-6 ; Lipopolysaccharides |
Language | English |
Publishing date | 2023-06-14 |
Publishing country | England |
Document type | Journal Article ; Research Support, Non-U.S. Gov't |
ZDB-ID | 1004226-x |
ISSN | 1365-2060 ; 1651-2219 ; 0785-3890 ; 1743-1387 |
ISSN (online) | 1365-2060 ; 1651-2219 |
ISSN | 0785-3890 ; 1743-1387 |
DOI | 10.1080/07853890.2023.2218105 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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