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TOXICITY EVALUATION OF FLUORINATED PYRAZOLE DERIVATIVES AS POTENTIAL ACTIVE COMPONENTS IN PLANT PROTECTION

Prior to comercialization of plant protection products, active components must be evaluated regarding their impact on the enviroment, animal and human health. Toxicity research data must be obtained in a laboratory environment by animal testing for long-term and short-term health effects. The REACH (Registration, Evaluation, and Authorization of Chemicals) guidelines implemented by the European Parliament restrict the overusage of animals in testing, and suggest the application of computational softwares in preliminary toxicity predictions. The aim of this research is to estimate the toxicity of the 10 newly synthetized flourinated pyrazole derivatives as potential compounds in plant protection treatments, as they show great prominence as phosphodiesterase inhibitors, making them possibly applicable as future pesticides. The software used to predict the compound toxicity is the T.E.S.T. (Toxicity Estimation Software Tool) software. Toxicity parameters that were evaluated are: • the lethal doses for rats (oral rat LD50) ; • aquatic toxicity (doses for growth inhibition of Tetrahymena pyriformis and lethal doses that kills half of fathead minnow (Pimephales promelas) ; • mutagenicity of compound that induces revertant colony growth of Salmonella typhimurium ; • bioaccumulation factor (the ratio of the concentration of a chemical in the tissue of an aquatic organism (fish) to its concentration in water.

plant protection, toxicity, active compounds, computational chemistry

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