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Antibiotics(1)
Biomolecules(1)
Chemometrics and Intelligent Laboratory Systems(1)
Current Bioinformatics(1)
SAR and QSAR in Environmental Research(1)
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scopus(5)
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: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: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: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: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:scopus