Evaluation of the effects of amitraz on the enzyme activity and stability of lysozyme: Spectroscopic and MD simulation approach

Abstract

The binding interaction of food preservatives and pesticides has emerged as a matter of paramount importance as it not only presents potential health hazards but also carries substantial consequences for food processing and preservation. Herein, the mechanism of interaction between lysozyme and Amitraz was explored through spectroscopic and computational techniques. Spectral investigations indicated the spontaneous nature and stability of the lysozyme-Amitraz complex. The corresponding CD and FT-IR studies proved the structural changes of lysozyme. The presence of amitraz led to a notable decrease in both the enzymatic activity and thermal stability of lysozyme. Molecular docking demonstrated the preferred mode of interaction, and molecular dynamics simulations confirmed the stability of the resultant complex. In conclusion, the alarming findings of the lysozyme-Amitraz interaction underscore its detrimental impact on food safety and human health. Accordingly, urgent measures are imperative to address and mitigate the potential hazards posed by such interactions in food production.