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To investigate the mechanism of Dioscorea bulbifera L. against non-small cell lung cancer (NSCLC) by network pharmacology and molecular docking.
The active components and corresponding targets of Dioscorea bulbifera L. were retrieved by the traditional Chinese medicine systems pharmacology database and analysis platform. NSCLC targets were obtained and intersected. Protein-protein interaction (PPI) network analysis was performed using STRING database. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis of intersection targets were performed. Molecular docking techniques were used to predict the binding of core components to key targets.
Fifteen possible active components and 203 targets of active components were screened out. There were 1 653 targets for NSCLC and 120 intersection targets. The key targets were tumor antigen p53 (TP53), RAC-alpha serine/threonine-protein kinase (AKT1), transcription factor Jun (JUN), tumor necrosis factor (TNF) and interleukin-6 (IL-6) by PPI network analysis. GO and KEGG enrichment analysis showed that the key targets were mainly in transcription regulator complex, and through response to inorganic substance, played DNA-binding transcription factor binding function, and anti-NSCLC by regulating in cancer pathways. Molecular docking results showed that diosgenin and diosbulbin B were better bound to key targets.
The anti-NSCLC effect of Dioscorea bulbifera L. may be related to the regulation of cancer pathways by the action of diosgenin and diosbulbin B on TP53, AKT1, JUN, TNF and IL-6.
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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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