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scopus(12)
Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous pbkp_redictions of biological activity against streptococci and toxicological profiles in laboratory animals
ArticleAbstract: Streptococci are a group of Gram-positive bacteria which are responsible for causing many diverse diPalabras claves:antibacterial, Artificial neural network mtk-QSAR, Streptococci, topological indicesAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusComputational 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:scopus3D-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:scopusFragment-based QSAR model toward the selection of versatile anti-sarcoma leads
ArticleAbstract: A sarcoma is a type of cancer which is originated from the connective tissue cells. With the time, sPalabras claves:Anti-sarcoma activity, Fragments, linear discriminant analysis, Multi-target QSARAutores:Alejandro Speck-Planche, Kleandrova V.V., Luan F., Natalia Dias Soeiro Cordeiro M.Fuentes:scopusMulti-Condition QSAR Model for the Virtual Design of Chemicals with Dual Pan-Antiviral and Anti-Cytokine Storm Profiles
ArticleAbstract: Respiratory viruses are infectious agents, which can cause pandemics. Although nowadays the danger aPalabras claves:Autores:Alejandro Speck-Planche, Kleandrova V.V.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:scopusNew insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous pbkp_rediction of anti-tuberculosis activity and toxicological profiles of drugs
ArticleAbstract: Tuberculosis (TB) constitutes one of the most dangerous and serious health problems around the worldPalabras claves:In silico selection, Inhibitors, linear discriminant analysis, Mtk-QSBER, Mycobacterium tuberculosis, Spectral momentsAutores:Alejandro Speck-Planche, Kleandrova V.V., Natalia Dias Soeiro Cordeiro M.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: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 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