Abstract:The molecular simulation technology was used to screen the highly specific polypeptide of metsulfuron-methyl，and quantum dots（QDs）-based fluorescence quenching immunochromatographic strip to verify the screening results.CDOCKER was employed for docking between the crystal structure of acetyllactate synthase and metsulfuron-methyl.The new polypeptides were designed by considering the cavity structure which is active to metsulfuron-methyl and the key amino acid for receptor-ligand interaction.Then，all polypeptides designed were optimized by virtual amino acid mutation and the library was built.The S1，S2 and S3 were screened according to the binding energy.The test strip method was applied to further verify that the polypeptides successfully recognized metsulfuron-methyl and S1 was the optimal sequence.The experimental results were consistent with the simulation results.