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Multi-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: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