Commonalities in the Structural Determinants of Toxicity in Fish and Mammals

The CASE program, an expert structure-activity relational system, was used to identify the structural determinants associated with inhibition of the human isozyme P4502D, toxicity of cultured murine Balb 3T3 cells, induction of α2u-globulin-associated nephropathy in male rats, systemic toxicity in mice and rats, and acute toxicity in minnows. Comparison of the structural determinants thus identified revealed a significant mechanistic overlap between the determinants of cellular toxicity and systemic toxicity in mice, rats, and minnows.