Mostrando 10 resultados de: 18
Filtros aplicados
Publisher
Current Topics in Medicinal Chemistry(3)
Future Medicinal Chemistry(3)
European Journal of Pharmaceutical Sciences(2)
ACS Combinatorial Science(1)
ACS Omega(1)
Área temáticas
Farmacología y terapéutica(10)
Química y ciencias afines(6)
Ciencias de la computación(3)
Funcionamiento de bibliotecas y archivos(3)
Ingeniería química(3)
Área de conocimiento
Farmacología(10)
Descubrimiento de fármacos(6)
Cáncer(3)
Bioquímica(2)
Relación cuantitativa estructura-actividad(2)
Origen
scopus(18)
Chemoinformatics for medicinal chemistry: In silico model to enable the discovery of potent and safer anti-cocci agents
ArticleAbstract: Background: Gram-positive cocci are increasingly antibiotic-resistant bacteria responsible for causiPalabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusChemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents
ArticleAbstract: The discovery of new and more efficient anti-cancer chemotherapies is a field of research in expansiPalabras claves:Anti-BC activity, BC cell lines, In silico design, linear discriminant analysis, mt-QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputational modeling in nanomedicine: Pbkp_rediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model
ArticleAbstract: Aims: We introduce the first quantitative structure-activity relationship (QSAR) perturbation modelPalabras claves:Antibacterial activity, Moving average approach, Nanoparticle, Perturbation, QSARAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
ArticleAbstract: Nowadays, the interest in the search for new nanomaterials with improved electrical, optical, catalyPalabras claves:Autores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.M.Fuentes:scopusA general ann-based multitasking model for the discovery of potent and safer antibacterial agents
ArticleAbstract: Bacteria have been one of the world’s most dangerous and deadliest pathogens for mankind, nowadays gPalabras claves:Antibacterial activity, artificial neural networks, Drug resistance, Moving average approach, Mtk-QSBER models, ontology, QSAR, topological indicesAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusCurrent tendencies in antimicrobial research: Medicinal chemistry of antibacterial agents and advances in the use of computational methodologies
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.Fuentes:scopusAbelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias role of the current computer-aided drug design methodologies
ArticleAbstract: The discovery of anti-cancer agents is an area which continues in accelerated expansion. Leukemias (Palabras claves:artificial neural networks, Fragments, In silico design, Inhibitors, Kinase, Leukemias, linear discriminant analysis, Molecular docking, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusDesign of novel antituberculosis compounds using graph-theoretical and substructural approaches
ReviewAbstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwPalabras claves:Antituberculosis, Discriminant analysis, Fragment contributions, Graph-theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusEnabling virtual screening of potent and safer antimicrobial agents against noma: Mtk-QSBER model for simultaneous pbkp_rediction of antibacterial activities and ADMET properties
ArticleAbstract: Neglected diseases are infections that thrive mainly among underdeveloped countries, particularly thPalabras claves:ADMET, antibacterial, linear discriminant analysis, NOMA, Quadratic IndicesAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMulticellular Target QSAR Model for Simultaneous Pbkp_rediction and Design of Anti-Pancreatic Cancer Agents
ArticleAbstract: Pancreatic cancers are widely recognized as a group of neoplasms with one of the poorest prognoses iPalabras claves:Autores:Alejandro Speck-PlancheFuentes:scopus