硝基苯化合物对枯草芽孢杆菌的毒性及构效分析

The Toxicity of Nitrobenzenes to Bacillus subtilis and the QSAR Study

以枯草芽孢杆菌 (Bacillussubtilis)为实验生物 ,测定了 12种硝基苯化合物对其种群生长抑制的 12hIGC50 ( 50 %inhibitorygrowthconcentra tion)值。应用lgP ,1 χV,I ,1 Ka , σ-和ELUMO6种物理化学描述符进行构效关系分析 ,建立QSAR模式 ,并且预测了

In this study 12 h-ICG 50 (50% inhibitory growth concentration) values of 12 nitrobenzenes were determined for population growth endpoint of Bacillus subtilis. Quantitative structure activity relationships (QSARs) were examined using 6 physicochemical descriptors,i.e.lg P , 1 χ V , I , 1 K a, σ - and E LUMO .Through multiple regression analysis,the QSAR models were established and used to estimate IGC 50 for 6 analogues.