Mostrando 4 resultados de: 4
Filtros aplicados
Subtipo de publicación
Article(4)
Publisher
Journal of Computational Chemistry(1)
Journal of Computer-Aided Molecular Design(1)
Journal of Pharmaceutical Sciences(1)
Journal of the Brazilian Chemical Society(1)
Área temáticas
Farmacología y terapéutica(3)
Medicina y salud(2)
Química analítica(2)
Bioquímica(1)
Medicina forense; incidencia de enfermedades(1)
Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds
ArticleAbstract: Trichomonas vaginalis (Tv) is the causative agent of the most common, non-viral, sexually transmittePalabras claves:Bond-based linear indices, In vitro cytostatic and cytocidal activities, LDA-assisted QSAR model, ToMoCoMD-CARDD software, Trichomonacidal, Virtual ScreeningAutores:Arán V.J., García-Domenech R., García-Trevijano J.A.E., Gómez-Barrio A., Grau-Ábalo R.d.C., Julián-Ortiz J.V., Meneses-Marcel A., Montero A., Nogal-Ruiz J.J., Pereira D.M., Rivera-Borroto O.M., Torrens F., Vogel C., Yovani Marrero-PonceFuentes:googlescopusApplying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids
ArticleAbstract: The great cost associated with the development of new anabolic-androgenic steroid (AASs) makes necesPalabras claves:Anabolic-androgenic ratio, Anabolic-androgenic steroid, LDA-assisted QSAR model, Quantum and physicochemical molecular descriptor, Virtual ScreeningAutores:Alvarez-Ginarte Y.M., Crespo-Otero R., García-De La Vega J.M., García-Domenech R., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-Ponce, Zaragoza F.T.Fuentes:googlescopusEstimation of ADME properties in drug discovery: Pbkp_redicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices
ArticleAbstract: The in vitro determination of the permeability through cultured Caco-2 cells is the most often-usedPalabras claves:'in silico' modeling, Atom-based linear indices, Caco-2 cells, Computational ADME, Dragon software, Human intestinal absorption, QSAR, Virtual ScreeningAutores:García-Domenech R., Garit J., Torrens F., Yovani Marrero-PonceFuentes:googlescopusIn silico antibacterial activity modeling based on the TOMOCOMD-CARDD approach
ArticleAbstract: In the recent times, the race to cope with the increasing multidrug resistance of pathogenic bacteriPalabras claves:Antibacterial activity, Atom-based bilinear index, linear discriminant analysis, QSAR, ToMoCoMD-CARDD software, Virtual ScreeningAutores:Acevedo-Barrios R., Arán V.J., García-Bernal M., García-De La Vega J.M., García-Domenech R., Garit J., Medina-Marrero R., Pérez-Giménez F., Stephen Jones Barigye, Torrens F., Yovani Marrero-PonceFuentes:scopus