Predição in sílico da toxicidade aguda e crônica de fármacos anti-histamínicos em peixes

Piter Gil  Santos; Marcela  Povoas; Vinicius Roveri Vinicius Roveri; Luciana Guimarães

doi:10.5281/zenodo.17203843

PDF (Portuguese)

Published: 2025-09-29

DOI: https://doi.org/10.5281/zenodo.17203843

Keywords:

ECOSAR; Antihistamines; Structure-ecotoxicity; Pharmaceuticals in the environment; Emerging pollutants

Piter Gil Santos

Laboratório de Pesquisa em Produtos Naturais. Universidade Santa Cecília. Rua Oswaldo Cruz, 266, sala C21, bloco C, segundo andar. Boqueirão, 11045-907 Santos, SP

Marcela Povoas

Universidade Metropolitana de Santos (UNIMES), Avenida Conselheiro Nébias, 536 - Encruzilhada, 11045-002, Santos, SP.

Vinicius Roveri Vinicius Roveri

Laboratório de Pesquisa em Produtos Naturais. Universidade Santa Cecília. Rua Oswaldo Cruz, 266, sala C21, bloco C, segundo andar. Boqueirão, 11045-907 Santos, SP / Universidade Metropolitana de Santos (UNIMES), Avenida Conselheiro Nébias, 536 - Encruzilhada, 11045-002, Santos, SP. / Interdisciplinary Centre of Marine and Environmental Research (CIMAR/CIIMAR), Universidade do Porto, Avenida General Norton de Matos, S/N, 4450-208, Matosinhos, Portugal

Luciana Guimarães

Laboratório de Pesquisa em Produtos Naturais. Universidade Santa Cecília. Rua Oswaldo Cruz, 266, sala C21, bloco C, segundo andar. Boqueirão, 11045-907 Santos, SP

Abstract

The present study aimed to evaluate the in silico prediction of acute and chronic toxicity of 11 antihistamine pharmaceuticals in fish using ECOSAR software (v1.11). The results obtained were subsequently classified according to the European Directive 93/67/EEC. Diphenhydramine, promethazine, loratadine, desloratadine, ebastine, and rupatadine exhibited relevant acute and chronic toxicity within the studied model. Except for diphenhydramine, all the aforementioned compounds, in addition to their toxic potential, were also predicted to be potentially bioaccumulative. It is concluded that certain antihistamines present a considerable likelihood of being classified as toxic, highly toxic, or extremely toxic, as well as exhibiting a high potential for bioconcentration and bioaccumulation