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BIOCHEMICAL-CHARACTERIZATIONDEGRADATION;PEROXIDASE;STABILITY;DESIGN

Rational engineering of a bifunctional laccase with enhanced activity and safety for simultaneous detoxification of Aflatoxin B1 and Zearalenone

Logrieco A. F.;Mule' G.;
2026

Abstract

BIOCHEMICAL-CHARACTERIZATIONDEGRADATION;PEROXIDASE;STABILITY;DESIGN
2026
Istituto di Scienze delle Produzioni Alimentari - ISPA
Aflatoxin B1 (AFB1) and Zearalenone (ZEN) are highly toxic mycotoxins. In this study, we combined FoldX-based computational mutation design with molecular-docking prescreening to systematically identify beneficial variants of the Bacillus-derived laccase. This workflow identified A225F as a promising mutation, increasing AFB1 detoxification activity by 32.8% within 1 h. Molecular dynamics simulations revealed that the phenylalanine substitution reshaped the internal microenvironment of the active site, compacting the substrate-binding cavity, and promoting more coordinated residue motions, collectively enhancing catalytic efficiency. UHPLC-MS/MS verified the conversion of AFB1 and ZEN into the less toxic products AFQ1 and 13-OH-ZEN-quinone, consistent with zebrafish hepatotoxicity assays. Under reaction conditions of 37 degrees C for 4 h, it efficiently and safely degraded more than 50% of AFB1 and ZEN in food matrices. These results demonstrate the effectiveness of a rational, computation-guided strategy for engineering CotA laccases with improved detoxification performance
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/604201
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