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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: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:scopusQSAR and molecular docking techniques for the discovery of potent monoamine oxidase B inhibitors: Computer-aided generation of new rasagiline bioisosteres
ArticleAbstract: The search for new therapies against neurodegenerative disorders (NDs) such as Alzheimer (AD) and PaPalabras claves:ALZHÉIMER, artificial neural networks, Computer-aided drug design, Molecular docking, Monoamine Oxidase B, Neurodegenerative disorders, Neuroprotective, PÁRKINSON, QSAR, RasagilineAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopusPtml modeling for alzheimer’s disease: Design and pbkp_rediction of virtual multi-target inhibitors of GSK3B, HDAC1, and HDAC6
ArticleAbstract: Background: Alzheimer’s disease is characterized by a progressive pattern of cognitive and functionaPalabras claves:Alzheimer's, Box-Jenkins approach, Molecular fragment, multi-target, PTML-ANN model, virtual designAutores:Alejandro Speck-Planche, Kleandrova V.V.Fuentes:scopus