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| Exploring the targets and molecular mechanisms of San Miguel Tang in the treatment of migraine based on network pharmacology and molecular docking techniques |
| Hits 597 Download times 926 Received:March 08, 2023 |
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| DOI
10.11656/j.issn.1673-9043.2023.04.17 |
| Key Words
San Miguel Tang;migraine;network pharmacology;target;signaling pathway;molecular docking |
| Author Name | Affiliation | E-mail | | GUO Honglei | Graduate School, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, China | | | ZHAO Keqin | Hebei Provincial Hospital of Traditional Chinese Medicine, Shijiazhuang 050000, China | | | SONG Yanqi | General Hospital of Tianjin Medical University, Tianjin 300052, China | | | WANG Aidi | General Hospital of Tianjin Medical University, Tianjin 300052, China | | | LIU Baoshan | General Hospital of Tianjin Medical University, Tianjin 300052, China | liubaoshanzyy@163.com |
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| Abstract
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| [Objective] Predicting the mechanism of action of San Miguel Tang in the treatment of migraine using network pharmacology methods and molecular docking techniques.[Methods] Screening of active ingredients in San Miguel Tang using the TCMSP database. Constructing protein interaction networks and obtaining drug-targeted genes from the STRING 11.5 database. Screening for disease target genes in migraine through OMIM,GeneCards databases. Using Rx64 4.1.1 software to construct Venn diagrams and obtain potential targets for the treatment of migraine with San Miguel Tang,GO and KEGG enrichment analyses were performed and bubble maps were created,and the related results were used to construct a "drug-component-disease-pathway" network using Cytoscape 3.7.1 and visualized. Molecular docking of the active ingredients of San Miguel Tang to the core target proteins was performed using software such as PyMOL and AutoDock Vina.[Results] The core active ingredients of San Miguel Tang for the treatment of migraine are quercetin,lignan and kaempferol. The potential therapeutic targets mainly include PTGS2,MAPK1,MAPK3,GSK3β,AKT1,HSP90AA1 and ESR1,which are mainly involved in lipid and atherosclerosis,AGE-RAGE,PI3K-Akt,IL-17,TNF,MAPK and other signalling pathways. Molecular docking results showed that quercetin,lignan and kaempferol bound well to the key core targets PTGS2,MAPK1 and MAPK3.[Conclusion] Through the network pharmacological study,it was initially predicted that the mechanism of action of San Miguel Tang in the treatment of migraine might be mainly related to the regulation of inflammatory factors and improvement of neurogenic inflammation,as well as the regulation of immune function and hormone levels and the maintenance of vascular homeostasis,reflecting the "multi-component-multi-target-multi-pathway" pharmacological characteristics of the Chinese medicine formula,providing theoretical reference for subsequent clinical application and research. |
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