Systematic Structure-Based Search for Ochratoxin-Degrading Enzymes in Proteomes from Filamentous Fungi

(1) Background: ochratoxins are mycotoxins produced by filamentous fungi with important implications in the food manufacturing industry due to their toxicity. Decontamination specific ochratoxin-degrading enzymes has become an interesting alternative for treatment of contaminated commodities. (2) Methods: using a structure-based approach based on homology modeling, blind molecular docking substrates and characterization low-frequency protein motions, we performed proteome mining characterize new potential ochratoxinase activity. (3) Results: results demonstrated ubiquitous presence fungal binuclear zinc-dependent amido-hydrolases high degree structural already characterized from Aspergillus niger. Ochratoxinase-like ochratoxin-producing showed more favorable substrate-binding pockets accommodate A B. (4) Conclusions: rich source hydrolases potentially capable degrading ochratoxins, could be used detoxification diverse