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A non-conformational QSAR study for plant-derived larvicides against Zika Aedes aegypti L. vector
ArticleAbstract: A set of 263 plant-derived compounds with larvicidal activity against Aedes aegypti L. (Diptera: CulPalabras claves:Aedes aegypti vector, freeware, Larvicidal activity, MLR method, QSAR analysisAutores:Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M.Fuentes:scopusQSAR 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 analysis on tacrine-related acetylcholinesterase inhibitors
ArticleAbstract: Background: The evaluation of the clinical effects of Tacrine has shown efficacy in delaying the detPalabras claves:Acetylcholinesterase Inhibitor, Alzheimer's disease, QSAR Theory, Tacrine, ValidationAutores:Honarparvar B., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M., Wong K.Y.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 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:scopusQSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors
ArticleAbstract: The inhibitory HIV reverse transcriptase activity of 172 non-nucleoside indoyl aryl sulfones and sulPalabras claves:CORAL, HIV reverse transcriptase inhibitors, Indoyl aryl sulfides and sulfones, PaDEL, QSARAutores:Bacelo D.E., Fioressi S.E., Ibezim N.E., Pablo R. Duchowicz, Palermo V., Romanelli G.P.Fuentes:scopusQuantitative Structure-Antifungal Activity Relationships for cinnamate derivatives
ArticleAbstract: Quantitative Structure-Activity Relationships (QSAR) are established with the aim of analyzing the fPalabras claves:Antifungal activity, Cinnamate derivatives, Molecular descriptors, QSAR TheoryAutores:Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M., Saavedra L.M.Fuentes:scopusQuantitative structure-activity relationships of mosquito larvicidal chalcone derivatives
ArticleAbstract: The mosquito larvicidal activities of a series of chalcones and some derivatives were subjected to aPalabras claves:chalcone derivatives, Molecular descriptors, mosquito larvicidal activity, QSAR TheoryAutores:Autino J.C., García J., Ortiz E.V., Pablo R. Duchowicz, Pasquale G., Romanelli G.P.Fuentes:scopusQuantitative structure–activity relationship (QSAR) analysis of plant-derived compounds with larvicidal activity against Zika Aedes aegypti (Diptera: Culicidae) vector using freely available descriptors
ArticleAbstract: BACKGROUND: We have developed a quantitative structure–activity relationship (QSAR) model for pbkp_rPalabras claves:Aedes Aegypti, EPI Suite program, Larvicidal activity, PaDEL open-source softwares, quantitative structure–activity relationship (QSAR) theoryAutores:Pablo R. Duchowicz, Romanelli G.P., Saavedra L.M.Fuentes:scopus