Documentos de Bennardi D.O. | REDI

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Filtros aplicados

Objetivos de Desarrollo Sostenible: "ODS 9: Industria, innovación e infraestructura"

Subtipo de publicación

Publisher

European Journal of Medicinal Chemistry(2)

Bioorganic and Medicinal Chemistry(1)

Environmental Science and Pollution Research(1)

Área temáticas

Farmacología y terapéutica(3)

Ingeniería química(2)

Química y ciencias afines(2)

Fisiología humana(1)

Química analítica(1)

Área de conocimiento

Relación cuantitativa estructura-actividad(4)

Farmacología(2)

Química ambiental(1)

Objetivos de Desarrollo Sostenible

ODS 3: Salud y bienestar(4)

ODS 12: Producción y consumo responsables(3)

ODS 6: Agua limpia y saneamiento(1)

Año de Publicación

Origen

Palabras Claves

Replacement method(3)

Dragon molecular descriptors(2)

Flavone derivative(2)

Molecular descriptors(2)

QSAR modeling of the interaction of flavonoids with GABA(A) receptor

Abstract: Experimentally assigned values to binding affinity constants of flavonoid ligands towards the benzod

Palabras claves:

Benzodiazepine receptor, Dragon molecular descriptors, Flavone derivative, Flunitrazepam, GABA(A), QSAR, Replacement method

Autino J.C., Bennardi D.O., Castro E.A., Pablo R. Duchowicz, Romanelli G.P., Vitale M.G.

QSAR on antiproliferative naphthoquinones based on a conformation- independent approach

Abstract: The antiproliferative activities of a series of 36 naphthoquinone derivatives were subjected to a Qu

Palabras claves:

Cáncer, Molecular descriptors, Multivariable Linear Regression, Naphthoquinone derivative, QSAR Theory

Bacelo D.E., Bennardi D.O., Bonifazi E.L., Burton G., Misico R.I., Pablo R. Duchowicz, Padrón J.M., Rios-Luci C.

QSAR prediction of inhibition of aldose reductase for flavonoids

Abstract: We performed a predictive analysis based on quantitative structure-activity relationships (QSAR) of

Palabras claves:

Aldose reductase inhibition, Cataract prevention, Dragon molecular descriptors, Enhanced replacement method, Flavone derivative, Genetic Algorithm, QSAR, Replacement method

Autino J.C., Bennardi D.O., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P.

The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants

Abstract: In advanced water treatment processes, the degradation efficiency of contaminants depends on the rea

Palabras claves:

Molecular descriptors, quantitative structure-property relationships, Reaction rate constant, Replacement method, Water micropollutant

Bacelo D.E., Bennardi D.O., Fioressi S.E., Ortiz E.V., Pablo R. Duchowicz