A novel screening on the specific peptide by molecular simulation and development of the electrochemical immunosensor for aflatoxin B1 in grains.

In this work, based on a specific antibody was obtained from the Protein Data Bank (PDB), a library of the specific peptides of aflatoxin B1 (AFB1) was constructed by combining key amino acids, amino acid mutations and molecular docking. Then, the porous gold nanoparticles (porous AuNPs) were fabricated on the surface of a glassy carbon electrode (GCE). A novel, sensitive and no-label signal immunosensor was developed by signal enhancement with the specific peptide as the recognition element for the detection of AFB1 in cereals. Under the optimal conditions, the limit of detection (S/N = 3) was 9.4 × 10 μg·L, and the linear range was 0.01 μg·L to 20 μg·L. The recovery results were 88.4%∼102.0%, which indicated an excellent accuracy. This sensor is an ideal candidate for screening the peptides of AFB1, and a novel immunosensor was used to detect AFB1 in cereals.