structure‐activity relationship of genotoxic polycyclic aromatic nitro compounds: Further evidence for the importance of hydrophobicity and molecular orbital energies in genetic toxicity

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 β‐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 ± ‐ 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. © 1992 Wiley‐Liss, Inc.

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