摘要Objective:The aim of this study is to identify molecules from traditional Chinese medicine(TCM)with potential activity against severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)and its variants.Methods:We applied the Apriori algorithm to identify important combinations of herbs in the TCM pre-scriptions for the treatment of coronavirus disease 2019(COVID-19).Then,we explored the active com-ponents and core targets using network pharmacology.In addition,the molecular docking approach was performed to investigate the interaction of these components with the main structural and non-structural proteins,as well as the mutants.Furthermore,their stability in the binding pockets was further evaluated with the molecular dynamics approach.Results:A combination of Amygdalus Communis Vas.,Ephedra Herba and Scutellaria baicalensis Georgi was selected as the important herbal combination,and 11 main components and 20 core targets against COVID-19 were obtained.These components,including luteolin,naringenin,stigmasterol,baicalein,and so on,were the potentially active compounds against COVID-19.The binding affinity of these com-pounds with the potential targets was as high as the positive controls.Among them,baicalein could inter-fere with multiple targets simultaneously,and it also interfered with the interaction between spike protein and angiotensin-converting enzyme 2 receptor.Additionally,almost all the systems reached sta-bility during dynamics simulation.Conclusion:The combination of A.communis,Ephedra Herba and S.baicalensis was the most important herbal combination for the treatment of COVID-19.Baicalein may be a potential candidate against SARS-CoV-2 and its variants.