卤代农药使用广泛，其降解技术还不成熟，特别是非酚类卤代农药不能使用常用的微生物降解法（如漆酶）直接降解。虽然漆酶介体系统(Laccase Mediator System，LMS）能够把漆酶的底物范围扩大到一些非酚类的底物，然而已发现的介体对非酚类卤代农药如敌草隆、利谷隆、敌稗无明显激活漆酶氧化效果的作用。因而设计高效的漆酶介体对生物降解非酚类卤代农药具有十分重要的意义。目前由于对LMS作用机制的相关研究还不足够，难以根据反应特点设计对非酚类卤代底物有效的介体。本项目拟通过理论计算特别是QM/MM计算探索LMS催化机理，为设计漆酶介体提供可靠的参考依据。结合QSPR方法找出影响降解性能的因素，设计出高效的漆酶反应介体，并通过实验活性检测，筛选出环境友好的漆酶催化作用介体，为微生物高效专一降解非酚类卤代农药开创一条新的途径。

Degradation of widely used amides pesticides is a problem especially for non-phenolic amides pesticides which cannot be microbially degraded by common enzymes such as laccases. Although the substrate of laccase can be expanded to some non-phenolic compounds by laccase mediator system (LMS), current mediators reveal low activation on non-phenolic amides pesticides such as diuron, linuron and propanil in LMS. It is significant to design mediators for biodegradation of non-phenol amides pesticides. Since mechanism of LMS is not completely clear, it is difficult to design efficient mediators for non-phenolic amides substrate. In this project, theoretical study, especially QM/MM study, is employed for the exploration of catalytic mechanism of laccase to give further insight into LMS. QSPR method is utilized to find the significant structure factors which have important effect on LMS degradation, and to help designing mediators. Eco-friendly mediators for microbial degradation of non-phenolic amides pesticides are expected to be found by experimental screening of mediators.