1. 基于网络药理学和分子对接技术探讨参附注射液 治疗失血性休克的相关机制.
- Author
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叶浩然, 郭玉红, 何莎莎, 杜 元, and 王宇琛
- Subjects
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HEMORRHAGIC shock , *MOLECULAR docking , *CHINESE medicine , *HEREDITY , *MOLECULAR pharmacology , *DRUG abusers - Abstract
OBJECTIVE: To probe into the mechanism of Shenfu injection in the treatment of hemorrhagic shock based on network pharmacology and molecular docking technology. METHODS: The main components and action targets of Shenfu injection were obtained by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform. Hemorrhagic shock related targets were obtained by searching the databases of GeneCards, Online Mendelian Inheritance in Man, therapeutic target database and Drugbank. The drug targets and disease targets were intersected and Venn diagram was drawn. The intersection targets were uploaded to STRING for visualization to obtain the proteinprotein interaction ( PPI) network diagram. Cytoscape 3. 9. 1 was used to construct the “ drug-component-targetdisease” network diagram. Gene ontology (GO) functional enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis were performed by using R 4. 2. 1. Pymol 2. 4. 0 and AutoDock Tools 1. 5. 7 were used for molecular docking. RESULTS: The two components of Shenfu injection were ginseng and aconite extract, 25 active components were screened, and 30 common targets were obtained after intersected with drug targets and disease targets. The PPI diagram showed that the degree of TNF, CASP3, IL-1β, PTGS2, ESR1 and CASP8 were higher. The network diagram of Shenfu injection-active component-gene target-disease showed that Beta-sitosterol, Ginsenoside rh2, Deltoin, Karanjin and PTGS2, NCOA2, PTGS1, ADRB2 were of high biological importance. GO functional enrichment analysis mainly focused on the regulation of apoptosis and inflammatory factors. KEGG pathway enrichment analysis showed that influenza A and other pathways were associated with hemorrhagic shock. In molecular docking, the change of intermolecular binding energy of molecular docking confirmed that the effective components of Shenfu injection could bind stably to the target related to hemorrhagic shock. CONCLUSIONS: Shenfu injection has the characteristics of multi-components and multi-targets in the treatment of hemorrhagic shock, which may be related to its reduction of cell apoptosis and inhibition of inflammation. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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