Acute toxicities of pharmaceuticals toward green algae. mode of action, biopharmaceutical drug disposition classification system and quantile regression models - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Ecotoxicology and Environmental Safety Année : 2016

Acute toxicities of pharmaceuticals toward green algae. mode of action, biopharmaceutical drug disposition classification system and quantile regression models

Résumé

The acute toxicities of 36 pharmaceuticals towards green algae were estimated from a set of quantile regression models representing the first global quantitative structure–activity relationships. The selection of these pharmaceuticals was based on their predicted environmental concentrations. An agreement between the estimated values and the observed acute toxicity values was found for several families of pharmaceuticals, in particular, for antidepressants. A recent classification (BDDCS) of drugs based on ADME properties (Absorption, Distribution, Metabolism and Excretion) was clearly correlated with the acute ecotoxicities towards algae. Over-estimation of toxicity from our QSAR models was observed for classes 2, 3 and 4 whereas our model results were in agreement for the class 1 pharmaceuticals. Clarithromycin, a class 3 antibiotic characterized by weak metabolism and high solubility, was the most toxic to algae (molecular stability and presence in surface water).
Fichier non déposé

Dates et versions

hal-01262279 , version 1 (26-01-2016)

Identifiants

Citer

Villain Jonathan, Latitia Minguez, Marie-Pierre Halm-Lemeille, Gilles Durrieu, Ronan Bureau. Acute toxicities of pharmaceuticals toward green algae. mode of action, biopharmaceutical drug disposition classification system and quantile regression models. Ecotoxicology and Environmental Safety, 2016, 124, pp.337-343. ⟨10.1016/j.ecoenv.2015.11.009⟩. ⟨hal-01262279⟩
230 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More