Abstract:
OBJECTIVE To predict potential targets and molecular mechanism of Xuebijing injection on coronavirus pneumonia based on network pharmacology and molecular docking, so as to provide potential network mechanism of Xuebijing injection in the treatment of COVID-19.
METHODS The active compositions of Xuebijing injection were screened out based on the literatures and the targets were predicted by ETCM, TCMSP and Targetnet online, while the potential targets in coronavirus pneumonia were collected by GeneCards, CTD and OMIM database. Integrated analyzed and obtained targets of Xuebijing injection in the treatment of coronavirus pneumonia. Then, the common targets were imported into STRING database for PPI network. The genefunction and pathway enrichment analysis of targets were performed using the online analysis database Enrichr and the interaction network were built using Cytoscape. Finally, iGEMDOCK software was used for molecular docking.
RESULTS Thirty active compositions and 222 targets were obtained from Xuebijing injection in this study, and 17 core compositions and 18 core targets were screened, which mainly effected in Influenza A and NF-κB, HIF-1 and VEGF signaling pathway, etc. Hydroxysafflor yellow A, chlorogenic acid and salvianolic acid B were major compositions by molecular docking.
CONCLUSION This study reveals that Xuebijing injection has the characteristics of multi-target and multi-pathway in treating coronavirus pneumonia, which can provide scientific evidence for mechanism prediction in treatment of COVID-19.