Nivalenol (NIV) is one of the most common mycotoxins, along with dioxynivalenol (DON), which cannot be completely controlled by common methods such as inorganic and organic adsorbents. Therefore, enzyme-based methods are suggested for detoxification of this type of mycotoxins, which require bioinformatics studies before laboratory tests. The purpose of this study is to investigate the binding strength of DEP A enzyme with NIV through molecular docking. H-DOCK online server was used to check molecular docking. The results of molecular docking showed that DEP-A enzyme was bound to the substrate with a relatively strong binding energy of -157.68. Finally, it can be concluded that the studied enzyme was able to bind to NIV at the right place, which shows that these enzymes can be effective in deactivating this toxin. However, laboratory studies will be needed to confirm these results.

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