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Computational ecotoxicology: Simultaneous pbkp_rediction of ecotoxic effects of nanoparticles under different experimental conditions
ArticleAbstract: Nanotechnology has brought great advances to many fields of modern science. A manifold of applicatioPalabras claves:ecotoxicity, Moving average approach, Nanoparticle, pbkp_rediction, perturbation theory, QSARAutores:Alejandro Speck-Planche, González‐díaz H., Kleandrova V.V., Luan F., Melo A., Natalia Dias Soeiro Cordeiro M., Ruso J.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:scopusDiscovery of Anti-Alzheimer agents: Current Ligand-Based approaches toward the design of acetylcholinesterase inhibitors
ArticleAbstract: Alzheimer's disease (AD) is a neurodegenerative disorder characterized by progressive dementia and lPalabras claves:3D-QSAR, AChE inhibitors, Fragments, linear discriminant analysis, QSARAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes: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:scopusRecent advances on QSAR-based profiling of agonist and antagonist A<inf>3</inf> adenosine receptor ligands
ReviewAbstract: Adenosine receptors (ARs) are signaling molecules ubiquitously expressed in a wide variety of tissuePalabras claves:A AR ligands 3, Adenosine Receptor (AR), Agonists, Antagonists, QSARAutores:Borges F., Deng C., Luan F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusRole of Ligand-Based Drug Design methodologies toward the discovery of new anti-Alzheimer agents: Futures perspectives in fragment-based ligand design
ArticleAbstract: Alzheimer's disease (AD), a degenerative disease affecting the brain, is the single most common sourPalabras claves:Alzheimer's disease (AD), Amyloid β-A4 protein, Anti-AD agents, Fragment-Based Drug Discovery, Glycogen synthase kinase-3β, Ligand-Based Drug Design, linear discriminant analysis, Monoamine Oxidase B, Multi-target inhibitors, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopus