Mostrando 5 resultados de: 5
Filtros aplicados
Publisher
Afinidad(2)
Chemical Biology and Drug Design(1)
Current Topics in Medicinal Chemistry(1)
European Journal of Medicinal Chemistry(1)
Área temáticas
Farmacología y terapéutica(4)
Química analítica(2)
Fisiología y materias afines(1)
Técnicas, equipos y materiales(1)
Área de conocimiento
Farmacología(3)
Bioquímica(2)
Descubrimiento de fármacos(2)
Aprendizaje automático(1)
Relación cuantitativa estructura-actividad(1)
Objetivos de Desarrollo Sostenible
ODS 3: Salud y bienestar(5)
ODS 9: Industria, innovación e infraestructura(5)
ODS 10: Reducción de las desigualdades(3)
ODS 12: Producción y consumo responsables(2)
Origen
scopus(5)
A review of QSAR studies to discover new drug-like compounds actives against Leishmaniasis and Trypanosomiasis
ReviewAbstract: The neglected tropical diseases (NTDs) affect more than one billion people (one-sixth of the world'sPalabras claves:LEISHMANIA, neglected tropical diseases, QSAR, Trypanosoma brucei, TRYPANOSOMA CRUZI, TrypanosomatidAutores:Abad C., Garit J., Rodríguez-Borges J.E., Torrens F., Yovani Marrero-PonceFuentes:googlescopusAtom-based 3D-chiral quadratic indices. Part 3: Prediction of the binding affinity of the stereoisomers offenoterol to the β <inf>2</inf> adrenergic receptor
ArticleAbstract: The non-stochastic and stochastic atom-based three dimensional (3D)-chiral quadratic indices are appPalabras claves:3D-QSAR, Binding affinity, Fenoterol stereoisomer, Non-stochastic and stochastic atom-based 3D-chiral quadratic indices, β -adrenoceptor 2Autores:Abad C., García-Domenech R., Garit J., Torrens F., Yovani Marrero-PonceFuentes:googlescopusIdentification In Silico and In Vitro of Novel Trypanosomicidal Drug-Like Compounds
ArticleAbstract: Atom-based bilinear indices and linear discriminant analysis are used to discover novel trypanosomicPalabras claves:Anti-epimastigote elimination, Atom-based bilinear indices, Cytotoxicity, TRYPANOSOMA CRUZI, Trypanosomicidal, Virtual ScreeningAutores:Abad C., Del Toro-Cortés O., García-Trevijano J.A.E., Garit J., Gómez-Barrio A., Kouznetsov V.V., Puentes C.O., Rolón M.S., Romero Bohórquez A.R., Torrens F., Vega M.C., Yovani Marrero-PonceFuentes:googlescopusLigand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support
ArticleAbstract: Two-dimensional bond-based linear indices and linear discriminant analysis are used in this report tPalabras claves:Amastigote susceptibility assay, Anti-epimastigote elimination, Bond-based linear indices, TRYPANOSOMA CRUZI, TrypanosomicidalAutores:Abad C., Arán V.J., Bello A., García-Trevijano J.A.E., Garit J., Gómez-Barrio A., Montero A., Pérez-Giménez F., Rolón M.S., Torrens F., Vega M.C., Yovani Marrero-PonceFuentes:googlescopusPrediction of ADME properties, Part 1: Classification models to predict Caco-2 cell permeability using atom-based bilinear indices
ArticleAbstract: The prediction of the permeability through cultured Caco-2 cells (an often-used in vitro model for dPalabras claves:'In silico' modelling, Atom-based bilinear indices, Caco-2 cell, Computational ADME, Human intestinal absorption, Virtual ScreeningAutores:Abad C., Cañizares-Carmenate Y., Garit J., Torrens F., Yovani Marrero-PonceFuentes:googlescopus