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scopus(9)
Computational drug repurposing for antituberculosis therapy: Discovery of multi-strain inhibitors
ArticleAbstract: Tuberculosis remains the most afflicting infectious disease known by humankind, with one quarter ofPalabras claves:artificial neural networks, drug repurposing, ensemble, MLP, QSAR, Strain, Tuberculosis, Virtual ScreeningAutores:Alejandro Speck-Planche, Kleandrova V.V., Scotti M.T.Fuentes:scopusCurrent pharmaceutical design of antituberculosis drugs: Future perspectives
ArticleAbstract: The increasing resistance of Mycobacterium tuberculosis to the existing drugs has alarmed the worldwPalabras claves:3D-QSAR methodologies, Enzymatic inhibitors, Graph-theoretical approaches, Ligand based-drug design, Structure based-drug designAutores:Alejandro Speck-Planche, de Paulo-Emerenciano V., Scotti M.T.Fuentes:scopusCell-based multi-target QSAR model for design of virtual versatile inhibitors of liver cancer cell lines
ArticleAbstract: Liver cancers are one of the leading fatal diseases among malignant neoplasms. Current chemotherapeuPalabras claves:ANTICANCER, Artificial Neural Network, Fragment, Liver cancer, multi-target, QSAR, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V., Nayarisseri A., Scotti L., 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: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: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 drug repurposing for anti-inflammatory therapy: Virtual search for dual inhibitors of caspase-1 and TNF-alpha
ArticleAbstract: Inflammation involves a complex biological response of the body tissues to damaging stimuli. When dyPalabras claves:Anti-Inflammatory, Caspase-1, covid-19, Cytokine storm, drug repurposing, MLP, QSAR, TNF-alpha, Virtual ScreeningAutores:Alejandro Speck-Planche, Kleandrova V.V., 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:scopusQSAR Modeling for Multi-Target Drug Discovery: Designing Simultaneous Inhibitors of Proteins in Diverse Pathogenic Parasites
ArticleAbstract: Parasitic diseases remain as unresolved health issues worldwide. While for some parasites the treatmPalabras claves:Artificial Neural Network, docking, Fragment, mt-QSAR, multi-target inhibitor, Multilayer Perceptron, parasites, virtual designAutores:Alejandro Speck-Planche, Bezerra Mendonça Junior F.J., Kleandrova V.V., Muratov E., Scotti L., Scotti M.T.Fuentes:scopus