摘要
在生理条件下利用光谱法和分子模拟技术研究了2-巯基苯并咪唑对溶菌酶的毒性作用机理,分析了二者的结合特性,探讨了溶菌酶空间结构和酶活性的变化,模拟了二者的具体结合位置,结果表明2-巯基苯并咪唑可以通过静态猝灭的方式显著地猝灭溶菌酶的内源荧光。通过测量不同温度下的结合位点数、结合常数以及热力学常数,显示2-巯基苯并咪唑与溶菌酶主要通过氢键和范德华力相结合。分子模拟结果显示2-巯基苯并咪唑结合在溶菌酶的活性位点处,并最终导致溶菌酶空间结构和酶活性的变化。该研究为从分子水平上考察2-巯基苯并咪唑的毒性作用机理提供了参考。
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.
出处
《分析测试学报》
CAS
CSCD
北大核心
2014年第12期1431-1435,共5页
Journal of Instrumental Analysis
基金
国家自然科学基金(21307043)
江南大学自主科研项目(JUSRP1032)
关键词
2-巯基苯并咪唑
溶菌酶
多种光谱技术
分子模拟
毒性评价
2-mercaptobenzimidazole （MBI）
lysozyme
multi-spectroscopic techniques
docking studies
toxicity evaluation
作者简介
通讯作者：滕跃，博士，讲师，研究方向：环境毒理学、土壤污染修复，Tel：0510—85326571，E—mail：tengyue@jiangnan．edu．cn
