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Computer-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:scopusComputer-aided drug design, synthesis and evaluation of new anti-cancer drugs
ArticleAbstract:Palabras claves:Autores: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:scopusEnsemble-based modeling of chemical compounds with antimalarial activity
ArticleAbstract: Background: Malaria or Paludism is a tropical disease caused by parasites of the Plasmodium genre anPalabras claves:Antimalarial activity, Ensemble modeling, Genetic Algorithms, Majority vote, Malaria disease, QSARAutores:Benfenati E., Borges F., Caballero-Alfonso A.Y., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopusEvolution of graph theory-based QSAR methods and their applications to the search for new antibacterial agents
ArticleAbstract: Resistance of bacteria to current antibiotics has increased worldwide, being one of the leading unrePalabras claves:Antibacterial activity, Graph-theoretical approach, Molecular fragment, Moving average approach, Multiplexing QSAR, Nosocomial infection, Topological descriptorAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMulti-target QSAR approaches for modeling protein inhibitors. Simultaneous pbkp_rediction of activities against biomacromolecules present in Gram-negative bacteria
ArticleAbstract: Drug discovery is aimed at finding therapeutic agents for the treatment of many diverse diseases andPalabras claves:Amino acid sequence, inhibitor, Molecular fragment, Moving average approach, mt-QSAR, Physicochemical propertiesAutores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M.Fuentes:scopusNosocomial infections: An increasing challenge to medicinal chemistry
OtherAbstract:Palabras claves:Autores:Alejandro Speck-Planche, Natalia Dias Soeiro Cordeiro M., Scotti M.T.Fuentes:scopusSimultaneous modeling of antimycobacterial activities and ADMET profiles: A chemoinformatic approach to medicinal chemistry
ArticleAbstract: Mycobacteria represent a group of pathogens which cause serious diseases in mammals, including the lPalabras claves:ADMET, Antimycobacterial, Fragment, linear discriminant analysis, Mtk-QSBER, Spectral momentsAutores:Alejandro Speck-Planche, 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:scopus