Interaction Mechanism between 2-Mercaptobenzimidazole and Lysozyme

KeyWord:2-mercaptobenzimidazole(MBI)  lysozyme  multi-spectroscopic techniques  docking studies  toxicity evaluation

Abstract:

      In this paper£¬the toxic mechanisms of 2-mercaptobenzimidazole to lysozyme were investigated using spectroscopic and molecular modeling methods under physiological conditions£¬the binding characterization of 2-mercaptobenzimidazole(MBI) and lysozyme was analyzed£¬and the changes of conformation and enzyme activity of lysozyme were explored and simulated.The results showed that 2-mercaptobenzimidazole could effectively quench the intrinsic fluorescence of lysozyme via static quenching.The number of binding sites£¬binding constant and thermodynamic parameters were measured at different temperatures.2-Mercaptobenzimidazole could spontaneously bind with lysozyme through hydrogen bond and van der Waals forces.The results of docking studies showed that 2-mercaptobenzimidazole could bind into the activity site of lysozyme£¬which further induced the influence on the conformation and enzyme activity of lysozyme.The study provides important references for exploring the toxic mechanism of 2-mercaptobenzimidazole to lysozyme at the molecular level.