Abstract:
The network pharmacology of the active components of Xingnaojing and COVID-19 was established by using the nethod of network pharmacology. In order to further explore the core active components and regulatory mechanism of Xingnaojing against COVID-19, the method of molecular docking was used to evaluate the binding ability of the active components in Xingnaojing with MAPK3 obtained by network pharmacology and 3CLpro that was the main protein of novel coronavirus. The results show that Xingnaojing has the characteristics of global regulation and multi-component action against COVID-19. In the active components of Xingnaojing, musk ketone, quercetin, kaempferol, naringenin and β-spisterol are the top 5 compounds that have the most binding to potential targets associated with COVID-19.The active components of Xingnaojing may bind to core targets such as MAPK3, CSF2, IL4, IL13, IL17A and TNF in the overall comprehensive regulatory process of anti-inflammatory, anti-viral and immune regulation. Taking MAPK3 as an example, the prediction results of the core active components of molecular docking is basically consistent with those of network pharmacology.