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scopus(7)
3D-QSAR methodologies and molecular modeling in bioinformatics for the search of novel anti-HIV therapies: Rational design of entry inhibitors
ReviewAbstract: Human immunodeficiency virus (HIV) is the responsible causal agent of acquired immunodeficiency syndPalabras claves:3D-QSAR, Anti-HIV, CCR5, CXCR4, Fragments, Gp120, Homology modeling, linear discriminant analysis, Molecular docking, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M., Scotti M.T.Fuentes:scopusDesign of novel antituberculosis compounds using graph-theoretical and substructural approaches
ReviewAbstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwPalabras claves:Antituberculosis, Discriminant analysis, Fragment contributions, Graph-theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusDesigning novel antitrypanosomal agents from a mixed graph-theoretical substructural approach
ArticleAbstract: Chagas disease is nowadays the most serious parasitic health problem. This disease is caused by TrypPalabras claves:Antitrypanosomal, Discriminant analysis, Fragment contributions, Graph theoretical descriptors, Massive screeningAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., López A., Pérez E., Scotti M.T., Uriarte E.Fuentes:scopusFragment-based approach for the in silico discovery of multi-target insecticides
ArticleAbstract: Pesticides represent extremely useful chemical and biochemical agents for the prevention of crop losPalabras claves:Fragments, Insecticides, linear discriminant analysis, QSAR, quantitative contributionsAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.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: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:scopusVirtual screening of alkaloids from apocynaceae with potential antitrypanosomal activity
ArticleAbstract: Chagas' disease, which occurs particularly in South America is a human tropical parasitic disease, cPalabras claves:alkaloids, Apocynaceae, decision tree, Fragment descriptors, Support Vector Machine, Virtual ScreeningAutores:Alejandro Speck-Planche, Da Silva M.S., Natalia Dias Soeiro Cordeiro M., Scotti L., Scotti M.T., Tavares J.F.Fuentes:scopus