||CASE-SAR (Computer Automated Structure Evaluation/Structure-Activity Relationship) Study of Mammalian Hepatic Azoreduction (Journal Version).
Nesnow, S. ;
Bergman, H. ;
Bryant, B. J. ;
Helton, S. ;
Richard, A. ;
||Environmental Health Research and Testing, Inc., Research Triangle Park, NC.;Health Effects Research Lab., Research Triangle Park, NC.
Azo dyes ;
Laboratory animals ;
Computer programs ;
Structure-activity relationship ;
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A group of 36 aryl azo dyes were examined for their ability to be reduced by rat liver microsomal azoreductase. This group of azo dyes featured a variety of substituents including sulfonic acid, phenol, nitro, amide, and methyl functionalities on phenyl, alpha-naphthyl, and beta-naphthyl rings. Reduction rate constants for each dye were obtained using a spectrophotometric method and anaerobic incubation conditions. The reduction rate constants and dye structures provided the data for a CASE-SAR fragment analysis and three major structure fragments associated with the ability of this group of azo dyes to be reduced were identified. These structural fragments may be useful in future predictions of the ability of azo dyes to undergo reduction by rat liver azoreductase.