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Identification of structural alerts for liver and kidney toxicity using repeated
dose toxicity data
#MMPMID26550029
Pizzo F
; Gadaleta D
; Lombardo A
; Nicolotti O
; Benfenati E
Chem Cent J
2015[]; 9
(?): 62
PMID26550029
show ga
BACKGROUND: The potential for a compound to cause hepatotoxicity and
nephrotoxicity is a matter of extreme interest for human health risk assessment.
To assess liver and kidney toxicity, repeated-dose toxicity (RDT) studies are
conducted mainly on rodents. However, these tests are expensive, time-consuming
and require large numbers of animals. For early toxicity screening, in silico
models can be applied, reducing the costs, time and animals used. Among in silico
approaches, structure-activity relationship (SAR) methods, based on the
identification of chemical substructures (structural alerts, SAs) related to a
particular activity (toxicity), are widely employed. RESULTS: We identified and
evaluated some SAs related to liver and kidney toxicity, using RDT data on rats
taken from the hazard evaluation support system (HESS) database. We considered
only SAs that gave the best percentages of true positives (TP). CONCLUSIONS: It
was not possible to assign an unambiguous mode of action for all the SAs, but a
mechanistic explanation is provided for some of them. Such achievements may help
in the early identification of liver and renal toxicity of substances.
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