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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: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 Drug Discovery via PTML Modeling: Applications to the Design of Virtual Dual Inhibitors of CDK4 and HER2
ArticleAbstract: Background: Cyclin-dependent kinase 4 (CDK4) and the human epidermal growth factor receptor 2 (HER2)Palabras claves:Artificial Neural Network, Cáncer, Fragment, Local contributions, Pseudo-linear equation, PTML model, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti L., Scotti M.T.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:scopusIn silico studies for bacterystic evaluation against staphylococcus aureus of 2-naphthoic acid analogues
ArticleAbstract: Background: Staphylococcus aureus is a gram-positive spherical bacterium commonly present in nasal fPalabras claves:2-Naphthoic Acid Analogues, Cytotoxicity risks, KNIME Analytics Platform, Lipinski rule, PHENOLIC COMPOUNDS, STAPHYLOCOCCUS AUREUSAutores:Alejandro Speck-Planche, Costa Barros R.P., Messias Monteiro A.F., Scotti L., Scotti M.T.Fuentes:scopusIndirect-Acting Pan-Antivirals vs. Respiratory Viruses: A Fresh Perspective on Computational Multi-Target Drug Discovery
ArticleAbstract: Respiratory viruses continue to afflict mankind. Among them, pathogens such as coronaviruses [includPalabras claves:antiviral, Caspase-1, Coronaviruses, Indirect-acting pan-antiviral, influenza, multi-target, PTML, Sting, TLR7, TNF-αAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.Fuentes:scopus