Chemical composition and pharmacological mechanism of ephedra-glycyrrhiza drug pair against coronavirus disease 2019 (COVID-19)

Traditional Chinese medicine (TCM) had demonstrated effectiveness in the prevention and control of COVID-19. Statistics showed that Ephedra Glycyrrhiza were frequently used treatment We hypothesized Ephedra-Glycyrrhiza drug pair is a potential choice for Here, 112 active compounds identified from via network pharmacology approach. enrichment analysis these might participate cAMP, PI3K-Akt, JAK-STAT chemokine signaling pathways, which high correlation with respiratory, nervous, blood circulation digestive system-related diseases. Pathway between COVID-19 key targets TNF-α, IL2, FOS, ALB, PTGS2. They PI3K-Akt pathway to exert immune regulation, organ protection antiviral effects. Molecular docking results bound well related targets, including main protease (Mpro, also called 3CLpro), spike protein (S protein), angiotensin-converting enzyme 2 (ACE2). The dynamics simulation was analyzed stability flexibility complex. In conclusion, our study elucidated pharmacological mechanism through multiple pathways.