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

摘要: 以枯草芽孢杆菌(Bacillus subtilis)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12 h IGC₅₀(50% inhibitory growth concentration)值.应用lgP,¹x^v,I,¹Ka,σ-和E_LUMO 6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6个相似化合物的毒性.

Abstract: 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.lgP,¹x^v,I,¹Ka, σ - and E_LUMO .Through multiple regression analysis,the QSAR models were established and used to estimate IGC₅₀ for 6 analogues.