Molecular Docking Study of Ver-1 Binding Compounds for the Mitigation of Aflatoxin B1 Toxicity
Abstract
Food safety has become a global health issue due to mycotoxins that occur naturally in agricultural products. The most dangerous of these toxins is Aflatoxin B₁ (AFB₁). Aflatoxin B₁ is a potent mycotoxin produced by Aspergillus flavus that exhibits toxic effects in the liver. In this study, the binding potential of 18 natural compounds to the Ver-1 protein, which is involved in the biosynthesis of AFB₁, was investigated using the Molecular Docking method. In analyses conducted using Gaussian and AutoDock/Vina software, the molecule apiol showed the strongest binding. The findings suggest that certain natural compounds may act as potential inhibitors by binding to the VER-1 protein, thereby reducing toxicity. The study presents a preliminary in silico analysis that evaluates the antifungal potential of natural compounds and could contribute to the drug development process.
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