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采用AMI方法计算了环境致癌物1.2-环氧3,4-丁烯(EB)和1,2,3,4二环氧丁烷(DEB)与DNA鸟嘌呤反应过程速率控制步骤的活化能及DEB与DNA片段生成烷化交联产物的结构和能量、结果得出:用烷化反应的难易程度难以解释DEB的致突性比EB大100倍的实验事实;强致突的DEB可与鸟嘌吟发生两次烷化反应,生成DNA交联产物,交联后的DNA结构稳定、变形小:而EB则不能交联.这可能为两者基因毒性差异巨大的分子机制.
AMI method was used to calculate the activation energy of the rate control steps of environmental carcinogens 1.2-epoxy 3,4-butene (EB) and 1,2,3,4-butylene oxide (DEB) and DNA guanine DEB and DNA fragments produce alkylated cross-linked product structure and energy, the results obtained: the difficulty of alkylation reaction is difficult to explain the DEB’s mutagenicity than the EB large 100 times the experimental facts; strong sudden DEB with Guanyin alkylating reaction occurs twice to produce DNA cross-linked products, cross-linked DNA structure is stable, small deformation: EB can not be cross-linked.This may be a huge difference between the two genotoxic mechanisms.