▎ 摘　　要

NOVELTY - Screening molecularly simulated bisphenol A specific polypeptides involves performing protein superposition and molecular docking, comprehensively analyzing the molecular structure and interaction of the bisphenol A-protein co-crystal compound in the protein structure database to obtain the receptor protein and the original parent chain. The main functional amino acids are analyzed in the molecular docking results to intercept the parent peptide to obtain the parent polypeptide. A peptide library specifically binding to bisphenol A is constructed, and molecular dynamics is used to conduct preliminary screening of the peptide. The polypeptide chain is used as a specific recognition element, and fluorescein isothiocyanate is used to label the polypeptide to form a specific recognition probe. The specific recognition probe is mixed with bisphenol A, and the peptide sequence with strongest specific binding ability to bisphenol A is screened out according to the difference in fluorescence. USE - Method for screening molecularly simulated bisphenol A specific polypeptides for detecting bisphenols (claimed) and screening of specific recognition elements of toxic and harmful small molecules, active ingredients and functional factors. ADVANTAGE - The method enables to screen molecularly simulated bisphenol A specific polypeptides, which avoids the complex preparation steps of antibodies and the cumbersome screening process of aptamers, and realizes the high-throughput design of specific recognition elements. DETAILED DESCRIPTION - An INDEPENDENT CLAIM is included for a method for detecting bisphenols using the bisphenol A-specific polypeptide, which involves coupling bisphenol A specific polypeptide obtained from the screening with fluorescein isothiocyanate through carbon amidation reaction, using fluorescent probe labeled with fluorescein isothiocyanate to synthesize specific bisphenol A, adding bisphenol A solution dropwise to the solution of the specific fluorescent probe and incubating with shaking to make the probe specifically recognize the target, adding graphene oxide dispersion is added to the system, and based on the principle of fluorescence resonance energy transfer, the fluorescence of the probe that is not bound to the target is quenched. The bisphenol A binds to a specific fluorescent probe, and is quenched by graphene oxide to measure the fluorescence intensity of the solution.