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scopus(8)
Chemoinformatics 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:scopusNew insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous pbkp_rediction of anti-tuberculosis activity and toxicological profiles of drugs
ArticleAbstract: Tuberculosis (TB) constitutes one of the most dangerous and serious health problems around the worldPalabras claves:In silico selection, Inhibitors, linear discriminant analysis, Mtk-QSBER, Mycobacterium tuberculosis, Spectral momentsAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusPTML Modeling for Pancreatic Cancer Research: In Silico Design of Simultaneous Multi-Protein and Multi-Cell Inhibitors
ArticleAbstract: Pancreatic cancer (PANC) is a dangerous type of cancer that is a major cause of mortality worldwidePalabras claves:Caspase-1, cell line, Fragment, IGF1R, MLP, multi-target, pancreatic cancer, TNF-alpha, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusReview of structures containing fullerene-C<inf>60</inf> for delivery of antibacterial agents. Multitasking model for computational assessment of safety profiles
ArticleAbstract: Fullerenes are carbon allotropes, and they have called the attention of scientists in the last 15 yePalabras claves:ADMET, antibacterial, Carriers, drug delivery, Fullerene-C 60, Fullerols, linear discriminant analysis, Mtk-QSBER, TOMOCOMDAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusPtml modeling for alzheimer’s disease: Design and pbkp_rediction of virtual multi-target inhibitors of GSK3B, HDAC1, and HDAC6
ArticleAbstract: Background: Alzheimer’s disease is characterized by a progressive pattern of cognitive and functionaPalabras claves:Alzheimer's, Box-Jenkins approach, Molecular fragment, multi-target, PTML-ANN model, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusThe urgent need for pan-antiviral agents: From multitarget discovery to multiscale design
ReviewAbstract:Palabras claves:COVID-19 •drug repurposing, multiscale de novo drug design, multitarget inhibitor, new molecular entity, pan-antiviral, PTML, SARS-COV-2Autores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopus