LeDock molecular docking software was used to simulate the docking of 13 445 small molecules of Chinese herbal components in the TCMSP database with JAK3 kinase.According to the analysis of docking binding free energy and ligand efficiency,18 molecules were screened out,and then further analyzed according to the interaction between receptor and ligand,7 molecules having better binding with JAK3 kinase were found.The amino acid residues Arg953,Asp967,Lys830,ALA966 and Asn954 in JAK3 kinase molecule were important sites for the formation of hydrogen bond between small molecules and JAK3 kinase,which provided the basis for the development and design of JAK3 inhibitors.Secologanin exhibited strong binding ability and high selectivity to JAK3 kinase through reverse screening with other JAK family members as target.This study found that secologanin may be used as highly selective inhibitors of JAK3 kinase,which was worthy of a detailed further study.