Recombinant Antibody-Based and Computer-Aided Comprehensive Analysis of Antibody's Equivalent Recognition Mechanism of Alternariol and Alternariol Monomethyl Ether.

ABSTRACT: Alternariol (AOH) and alternariol monomethyl ether (AME) are two main Alternaria mycotoxins that endanger human health. In this study, a single-chain antibody fragment (scFv) capable of equivalently and specifically recognizing AOH and AME was first expressed, and its equivalent recognition mechanism was discussed. According to molecular docking and dynamic simulation, the C9 site, which was always exposed outside the binding cavity, made the structural differences between AOH and AME negligible. Due to the high similarity of structures, AOH and AME interacted with almost the same amino acids on the scFv; thus, the same interaction mode and interaction force were produced. This was considered to be the most critical reason for the equivalent recognition. Thus, the exposure of common

SUBMITTER: Wang Z 

PROVIDER: S-EPMC9046909 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature