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. 2023 Feb 21;28(5):2019. doi: 10.3390/molecules28052019

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© 2023 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Ochratoxin (OTA)—neutral metalloendopeptidase interactions. (A) Panoramic view of the reference (DB07673) and the tested OTA ligands within a neutral metalloendopeptidase binding site, showing the docked poses of the tested and reference ligands. (B) Detailed view showing the interactions of the different amino acid residues within the binding site of neutral metalloendopeptidase with the OTA ligand. The yellow arrow shows the proximity between the neutral protease B catalytic triad and the OTA amide bond, suggesting its breakup.