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Unveiling the Mechanism of Phenamacril Resistance in F. graminearum: Computational and Experimental Insights into the C423A Mutation in FgMyoI
Wheat, an essential grain with high nutritional value, serves as a staple crop across Asia, Europe, North America, and Australia while also being a crucial ingredient in various food products. (1,2) Fusarium head blight (FHB), also known as scab, is a notorious fungal disease caused by Fusarium spp., affecting global wheat, barley, and even rice production and posing a serious threat to human and animal health worldwide due to the biotoxins produced by Fusarium spp.
Characterizing the Molecular Mechanism of the Lethal C423D Mutation in FgMyoI: A Molecular Perspective Original
The lethal mutation C423D in Fusarium graminearum myosin I (FgMyoI) occurs close to the binding pocket of the allosteric inhibitor phenamacril and causes severe inhibition on mycelial growth of F. graminearum strain PH-1. Here, based on extensive Gaussian accelerated molecular dynamics simulations and wet experiments, we elucidate the underlying molecular mechanism of the abnormal functioning of the FgMyoIC423D mutant at the atomistic level.
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