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Chemosphere(1)
Environmental Toxicology and Pharmacology(1)
European Journal of Medicinal Chemistry(1)
International Journal of Molecular Sciences(1)
SAR and QSAR in Environmental Research(1)
Assessing the chemical-induced estrogenicity using in silico and in vitro methods
ArticleAbstract: Multiple substances are considered endocrine disrupting chemicals (EDCs). However, there is a signifPalabras claves:Endocrine disruptor, Estrogen receptor, Pbkp_redictive toxicology, Persistent organic pollutant, QSAR, Reporter gene assayAutores:Amber M., Connolly L., Gozalbes R., Jorge E.G., Stephen Jones BarigyeFuentes:scopusDevelopment of an in silico model of DPPH free radical scavenging capacity: Pbkp_rediction of antioxidant activity of coumarin type compounds
ArticleAbstract: A quantitative structure-activity relationship (QSAR) study of the 2,2-diphenyl-l-picrylhydrazyl (DPPalabras claves:antioxidant, artificial neural networks, coumarin, Dpph, Free radical scavenger, MLP, QSARAutores:Jorge E.G., Rayar A.M., Rodríguez M.E.J., Stephen Jones Barigye, Veítia M.S.I.Fuentes:scopusElucidating the aryl hydrocarbon receptor antagonism from a chemical-structural perspective
ArticleAbstract: The aryl hydrocarbon receptor (AhR) plays an important role in several biological processes such asPalabras claves:AhR antagonist, CALUX, linear discriminant analysis, POP, QSAR, toxicophoreAutores:Doan T.Q., Giner R.M., Gozalbes R., Jorge E.G., Muller M., Scippo M.L., Stephen Jones BarigyeFuentes:scopusPbkp_redictive modeling of aryl hydrocarbon receptor (AhR) agonism
ArticleAbstract: The aryl hydrocarbon receptor (AhR) plays a key role in the regulation of gene expression in metabolPalabras claves:Agonistic activity, Aryl hydrocarbon receptor, Benzothiazoles, Computational modeling, Coumarins, flavonoids, Polyphenols, QSAR, TriterpenesAutores:Giner R.M., Gozalbes R., Jorge E.G., Stephen Jones Barigye, Veitía Iyarreta M.Fuentes:scopusTargeting the aryl hydrocarbon receptor with a novel set of triarylmethanes
ArticleAbstract: The aryl hydrocarbon receptor (AhR) is a chemical sensor upregulating the transcription of responsivPalabras claves:Agonistic activity, Ah receptor, CYP1A1, transcription factor, TriarylmethaneAutores:Carpio L.E., Ferroud C., Giner R.M., Gozalbes R., Jorge E.G., Loones N., Rampal C., Stephen Jones Barigye, Veitía Iyarreta M.Fuentes:scopus