Debnath A K, Hansch C
Chemistry Department, Pomona College, Claremont, CA 91711.
Environ Mol Mutagen. 1992;20(2):140-4. doi: 10.1002/em.2850200210.
A quantitative structure-activity relationship (QSAR) has been formulated for 15 polycyclic aromatic nitro compounds acting on E. coli PQ37. Upon damage of DNA by these substances beta-galactosidase is induced and can be easily assayed colorimetrically, hence, this is a short-term test for mutagenicity. The QSAR (log SOSIP = 1.07 log P - 1.57 epsilon LUMO - 6.41) is strikingly similar to that found earlier with nitroaromatics acting in the Ames test (TA100) and differs significantly for that found using TA98 organisms. The QSAR brings out in a unique manner the underlying similarity in the two test systems.
已针对作用于大肠杆菌PQ37的15种多环芳族硝基化合物建立了定量构效关系（QSAR）。这些物质损伤DNA后会诱导β-半乳糖苷酶产生，并且可以通过比色法轻松检测，因此，这是一种用于致突变性的短期测试。该QSAR（log SOSIP = 1.07 log P - 1.57 εLUMO - 6.41）与早期在艾姆斯试验（TA100）中作用的硝基芳烃所发现的QSAR惊人地相似，并且与使用TA98生物体所发现的QSAR有显著差异。该QSAR以独特的方式揭示了这两种测试系统潜在的相似性。
