In silico prediction of acute and chronic toxicity of galenic base components in fish

Abstract

This study aimed to evaluate the in silico prediction of acute and chronic toxicity of 16 components commonly found in galenic bases, as listed in the Brazilian Pharmacopeia National Formulary, using the ECOSAR v1.11 software. Toxicity classifications were based on the European Directive 93/67/EEC, which establishes criteria for environmental hazard assessment of chemical substances. Except for imidazolidinyl urea and methylparaben, all compounds demonstrated extreme acute and chronic toxicity in fish models. The most toxic substances also exhibited high potential for bioaccumulation and bioconcentration. These findings highlight the ecotoxicological relevance of pharmaceutical excipients, which are often overlooked as emerging pollutants. The use of predictive tools such as ECOSAR and EPI Suite proved effective for preliminary environmental risk screening, supporting the development of safer and more sustainable pharmaceutical formulations.