Network pharmacology and molecular docking technology were used to explore the possible mechanism of Compound Shuanghua oral liquid in the treatment of influenza.
The active ingredients of the compound Shuanghua oral liquid were searched through the literature, and the target points of the active ingredients were predicted based on the data platform, after which a compound-target network was constructed. The intersection of the active ingredient targets of the compound Shuanghua oral liquid and the influenza disease targets were taken to obtain the key targets to construct a drug-active ingredient-key target-disease network. Protein interaction analysis was conducted through shared core targets. The protein interaction core (PPI) moderate centrality (DC), intermediate centrality (BC), compact centrality (CC), eigenvector centrality (EC), network centrality (NC) and local average connectivity (LAC) parameters were analyzed to screen the core target genes. The selected main active components of the Compound Shuanghua oral liquid are molecularly docked with the influenza virus neuraminidase target.
Totally 80 active ingredients were obtained corresponding to the targets of Compound Shuanghua oral liquid; 616 action targets, 2 574 influenza-related genes, 243 key targets of Compound Shuanghua oral liquid were predicted in the treatment of influenza, and 23 key core targets were screened from protein interaction core (PPI) analysis, including proto-oncogene tyrosine protein kinase Src (SRC), tyrosine protein kinase JAK1 (JAK1), etc. Enrichment analysis showed the common biological process of compound Shuanghua oral liquid and influenza, which is related to inflammation, cell proliferation and apoptosis. The main pathways of action are tumor necrosis factor signaling pathway, interleukin-17 signaling pathway, apoptosis signaling pathway, Toll-like receptor signaling pathway, and C-type lectin receptor signaling Access, etc. The results of molecular docking show that the main active ingredients have good binding activity with influenza virus neuraminidase.
The mechanism of action for Compound Shuanghua oral liquid may mainly be inhibiting neuraminidase activity, inflammatory response and apoptosis related factors and pathways, acting against influenza, reducing the inflammatory response caused by influenza, so as to achieve the purpose of treating influenza.
| 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 |