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Quantitative structure‐activity relationships for weak acid respiratory uncouplers to Vibrio fisheri
Author(s) -
Schultz T. Wayne,
Cronin Mark T. D.
Publication year - 1997
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1002/etc.5620160235
Subject(s) - quantitative structure–activity relationship , vibrio , biology , potency , toxicology , bioassay , toxicity , acute toxicity , tetrahymena pyriformis , environmental chemistry , biochemistry , chemistry , ecology , bacteria , tetrahymena , organic chemistry , in vitro , bioinformatics , genetics
Acute toxicity values (5‐ and 30‐min Vibrio fisheri 50% luminescence inhibition) of 16 organic compounds thought to elicit their response via the weak acid respiratory uncoupling mechanism of toxic action were secured from the literature. Regression analysis of toxicities revealed that a measured 5‐min V. fisheri potency value can be used as a surrogate for the 30‐min value. Regression analysis of toxicity (30‐min for potency [log pT 30 −1 ]) versus hydrophobicity, measured as the 1‐octanol/water partition coefficient (log K ow ), was used to formulate a quantitative structure‐activity relationship (QSAR). The equation log pT 30 −1= 0.489(log K ow ) + 0.126 was found to be a highly predictive model ( r 2 adj. = 0.848). This V. fisheri QSAR is statistically similar to QSARs generated from weak acid uncoupler potency data for Pimephales promelas survivability and Tetrahymena pyriformis population growth impairment. This work, therefore, suggests that the weak acid respiratory uncoupling mechanism of toxic action is present in V. fisheri , and as such is not restricted to mitochondria‐containing organisms.