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European Journal of Medicinal Chemistry(2)
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scopus(8)
QSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives
ArticleAbstract: We establish useful models that relate experimentally measured biological activities of compounds toPalabras claves:Antifeedant activity, Flavone derivatives, pED 50, QSAR Theory, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Goodarzi M., Ocsachoque M.A., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M.Fuentes:scopusQSAR modeling of the interaction of flavonoids with GABA(A) receptor
ArticleAbstract: Experimentally assigned values to binding affinity constants of flavonoid ligands towards the benzodPalabras claves:Benzodiazepine receptor, Dragon molecular descriptors, Flavone derivative, Flunitrazepam, GABA(A), QSAR, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Pablo R. Duchowicz, Romanelli G.P., Vitale M.G.Fuentes:scopusQSAR models for insecticidal properties of plant essential oils on the housefly (Musca domestica L.)
ArticleAbstract: The fumigant and topical activities exhibited by 27 plant-derived essentials oils (EOs) on adult M.Palabras claves:essential oils, Insecticidal activity, Molecular descriptors, Musca domesticaL, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusQSAR models for the fumigant activity pbkp_rediction of essential oils
ArticleAbstract: The Quantitative Structure-Activity Relationships (QSAR) theory, which allows pbkp_redicting the insPalabras claves:essential oils, Fumigant activity, Molecular descriptors, Quantitative structure-activity relationshipsAutores:Bennardi D.O., Comelli N.C., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusQSAR on antiproliferative naphthoquinones based on a conformation- independent approach
ArticleAbstract: The antiproliferative activities of a series of 36 naphthoquinone derivatives were subjected to a QuPalabras claves:Cáncer, Molecular descriptors, Multivariable Linear Regression, Naphthoquinone derivative, QSAR TheoryAutores:Bacelo D.E., Bennardi D.O., Bonifazi E.L., Burton G., Misico R.I., Pablo R. Duchowicz, Padrón J.M., Rios-Luci C.Fuentes:scopusQSAR pbkp_rediction of inhibition of aldose reductase for flavonoids
ArticleAbstract: We performed a pbkp_redictive analysis based on quantitative structure-activity relationships (QSAR)Palabras claves:Aldose reductase inhibition, Cataract prevention, Dragon molecular descriptors, Enhanced replacement method, Flavone derivative, Genetic Algorithm, QSAR, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P.Fuentes:scopusSustainable synthesis of flavonoid derivatives, QSAR study and insecticidal activity against the fall armyworm, spodoptera frugiperda (Lep.: Noctuidae)
ArticleAbstract: A simple, clean, solvent-free preparation of flavones by the use of a silica-supported Preyssler hetPalabras claves:Fall armyworm, Flavones, Heteropolyacid, Insecticidal activity, Preyssler catalyst, QSAR, SPODOPTERA FRUGIPERDA, Sustainable synthesisAutores:Autino J.C., Bennardi D.O., Gaddi A.L., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M., Virla E.G.Fuentes:scopusThe conformation-independent QSPR approach for pbkp_redicting the oxidation rate constant of water micropollutants
ArticleAbstract: In advanced water treatment processes, the degradation efficiency of contaminants depends on the reaPalabras claves:Molecular descriptors, quantitative structure-property relationships, Reaction rate constant, Replacement method, Water micropollutantAutores:Bacelo D.E., Bennardi D.O., Fioressi S.E., Ortiz E.V., Pablo R. DuchowiczFuentes:scopus