Exploring the pharmacological mechanisms of star anise against COVID-19 using network pharmacology and molecular docking

Abstract

Traditional Chinese Medicine (TCM) has exhibited promising preventive and therapeutic attributes against COVID-19. This study aims to investigate the active constituents within star anise and elucidate their mechanisms in combatting COVID-19, employing a combination of GC-MS analysis, network pharmacology, and molecular docking techniques. Various extraction methods were employed to obtain star anise compounds, which were subsequently subjected to GC-MS analysis. A comprehensive star anise and COVID-19-related genomic network was established through Swiss Target Prediction and disease-gene databases. Network pharmacology analysis unveiled the significant prominence of common core targets, namely TLR4, PTGS2, RELA, and ESR1. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses revealed that star anise may exert its preventive effects against COVID-19 by modulating immune responses, apoptosis, and viral infections. Molecular docking investigations provided compelling evidence of substantial interactions between the active compounds found in star anise and the key target proteins. In summary, this work has the potential to offer new avenues and a theoretical foundation for a more in-depth understanding of the multicomponents, multitarget, and multipathway properties of star anise in preventing COVID-19.