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To explore the mechanism of action of quercetin in the treatment of septic cardiomyopathy using network pharmacology and molecular docking techniques, and to validate the predicted results by in vivo experiments.
Drug targets of quercetin and targets of septic cardiomyopathy were searched through database, and the intersection of the two was taken. A protein-protein interaction network map was constructed, and Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)were used to enrich the analysis of the intersection targets, and molecular docking was performed on the core targets of key pathways. C57BL/6J male mice were randomly divided into four groups: sham surgery group (sham group), sepsis group, high-dose quercetin group, and low-dose quercetin group. Cardiac function was evaluated using small animal cardiac ultrasound, serum myocardial enzymes and troponin were detected, the changes of the pathology and ultra-structure in myocardial tissue were observed by HE staining and transmission electron microscopy, and the expression of core targets was verified by RT-PCR and Western blot.
A total of 98 intersection genes related to disease targets of quercetin were obtained, and 194 biological processes, 15 cell components, and 26 molecular functions were obtained by GO analysis. KEGG pathway analysis found that quercetin was most likely to treat septic cardiomyopathy through the IL-17 signaling pathway, and molecular docking showed that matrix metalloproteinase-9(MMP-9)and interleukin-1β (IL-1β)had the lowest binding energy. Quercetin significantly improved cardiac function in mice with septic cardiomyopathy, markedly reduced myocardial enzymes and troponin, apparently reduced myocardial cell edema and inflammatory cell infiltration, and improved myocardial sarcomere disorder and mitochondrial swelling. PCR and Western blot results showed that quercetin reduced the levels of myocardial IL-17, TRAF6, MMP9 and IL-1β in mice with septic cardiomyopathy, verifying the prediction results of network pharmacology and molecular docking.
Quercetin may alleviate myocardial injury in sepsis by inhibiting the IL-17 pathway.
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| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
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