BackgroundMyosin plays a crucial role in cellular processes, while its dysfunction can lead to organismal malfunction. Phenamacril (PHA), a highly species‐specific and non‐competitive inhibitor of myosin I (FgMyoI) from Fusarium graminearum, has been identified as an effective fungicide for controlling plant diseases caused by partial Fusarium pathogens, such as wheat scab and rice bakanae. However, the molecular basis of its action is still unclear.ResultsThis study employed multiple computational approaches first to elucidate the allosteric inhibition mechanism of FgMyoI by PHA at the atomistic level. The results indicated the increase of ATP binding affinity upon PHA binding, which might impede the release of hydrolysis products. Furthermore, simulations revealed a broadened outer cleft and a significantly more flexible interface for actin binding, accompanied by a decrease in signaling transduction from the catalytic center to the actin‐binding interface. These various effects might work together to disrupt the actomyosin cycle and hinder the ability of motor to generate force. Our experimental results further confirmed that PHA reduces the enzymatic activity of myosin and its binding with actin.ConclusionTherefore, our findings demonstrated that PHA might suppress the function of myosin through a synergistic mechanism, providing new insights into myosin allostery and offering new avenues for drug/fungicide discovery targeting myosin.This article is protected by copyright. All rights reserved.
A kind of microcapsule sustained-release–type hydration heat inhibitor (MSR) was prepared. The effect of MSR on semi-adiabatic temperature rise, setting time, and strength of low-heat Portland cement was investigated. Microcalorimetry, XRD, SEM, and TG-DSC were used to investigate the mechanism of MSR on hydration of low-heat Portland cement. The results showed that the MSR had good regulating effect on hydration of low-heat Portland cement. When the dosage of MSR was 0.3%, the heat release rate decreased by 10% and the peak temperature decreased by 52%. The 3D compressive strength decreased by 50%, and the 28-day strength was the same as control. The MSR can delay the hydration of low-heat Portland cement by inhibiting the heat release rate of C2S and C3S minerals.
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