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Current Topics in Medicinal Chemistry(2)
Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back(2)
ACS Combinatorial Science(1)
Anti-Cancer Agents in Medicinal Chemistry(1)
Bioorganic and Medicinal Chemistry(1)
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Medicina y salud(3)
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Farmacología y terapéutica(2)
Ginecología, obstetricia, pediatría, geriatría(1)
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Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous pbkp_redictions of biological activity against streptococci and toxicological profiles in laboratory animals
ArticleAbstract: Streptococci are a group of Gram-positive bacteria which are responsible for causing many diverse diPalabras claves:antibacterial, Artificial neural network mtk-QSAR, Streptococci, topological indicesAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputer-aided drug design methodologies toward the design of anti-hepatitis C agents
ReviewAbstract: Hepatitis C constitutes an infectious disease that causes severe damages to the liver, and is causedPalabras claves:3D-QSAR, Anti-HCV agents, Fragments, linear discriminant analysis, QSAR, Structure-based drug designAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.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:scopusAdvanced In Silico Approaches for Drug Discovery: Mining Information from Multiple Biological and Chemical Data Through mtk-QSBER and pt-QSPR Strategies
ArticleAbstract: The last decade has been seeing an increase of public-private partnerships in drug discovery, mostlyPalabras claves:Box-Jenkins moving averages, CHEMBL, Knowledge generator, Mtk-QSBER models, Perturbation the-ory, Pt-QSPR modelsAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusErratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins (Molecular Diversity, (2017), 21, 3, (511-523), 10.1007/s11030-017-9731-1)
OtherAbstract: In the original publication, the equations were published incorrectly. The corrected equations are gPalabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusEditorial
OtherAbstract:Palabras claves:Autores:Administrador Revistas UTE, Adrián LLerena, Aguilar Gordón F.D.R., Alejandro Speck-Planche, Alfred Kron̈er, Alvaro Santiago Solano Gallegos, Ayestarán S., Benson A., Darío R. Páez, Darwin Ordoñez Iturralde, Davey K., David Ricardo Achig Balarezo, Davila A., Eduardo V. Ludeña, Elisa Bonaccorso, Eugenia Wickens, Eve Cerón Pérez, Floralba del Rocío Aguilar-Gordón, Freddy Portilla Farfán, Gisela Raymond Cornejo, Gustavo Moreno-Martín, Henry Pazmiño A, Hoorn C., Iankova K., Jaime Padilla Verdugo, Jaime Patricio Abad Vázquez, Javier González Díez, Jefferson Moreno Guaicha, Jimena Peñaherrera Wilches, José Luis Crespo-Fajardo, Juan Manuel Guayasamin, Klerkx J., Licinio J., Linder H., Marcos De Donato, María Sol Villagómes, Marian Wiercigroch, Matilde J. Flores Urbáez, Mauricio Ortega-Andrade, Miriam Gallegos, Naranjo-Gil D., Nelson José Labarca Ferrer, Nicola Pontarollo, Nikola Petrovic, Orville-Thomas W.J., Palavitsinis N., Pedro Jimenez-Pacheco, Pedro Longart, Rafael Iturralde Solórzano, Richard J. Aspinall, Schandelmeier H., Smeyers Y.G., Stern R.J., Tilbury J., Viazzo P.P., Xavier Ochoa, Yachana , Yachana Revista Científica, Yntze van der Hoek, Zulbey Rivero de RodríguezFuentes:googlerraaescopusMulti-scale approaches in drug discovery: From empirical knowledge to in silico experiments and back
BookAbstract: Drug discovery is an expensive, time-consuming process and the modern drug discovery community is coPalabras claves:Autores:Alejandro Speck-PlancheFuentes:scopusMulti-target inhibitors for proteins associated with Alzheimer: In silico discovery using fragment-based descriptors
ArticleAbstract: Alzheimer disease (AD) is one of the most common and serious neurodegenerative disorders in humans.Palabras claves:Anti-AD agents, Fragment, linear discriminant analysis, Mt-inhibitors, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMulti-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents
Book PartAbstract: Cancers can be considered as a group of diseases, where cells undergo an uncontrolled growth, and maPalabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusUnified multi-target approach for the rational in silico design of anti-bladder cancer agents
ArticleAbstract: Bladder cancer (BLC) is a very dangerous and common disease which is characterized by an uncontrollePalabras claves:artificial neural networks, bladder cancer, Fragments, In silico design, linear discriminant analysis, Molecular descriptors, Mt- QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopus