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Computational molecular modelling of N-cinnamoyl and hydroxycinnamoyl amides as potential α-glucosidase inhibitors
ArticleAbstract: In the present work, a molecular modelling has been performed on a total of 17 cinnamic acids, derivPalabras claves:3D-QSAR, Computational Modelling, DFT, Multi-linear algebraic maps, α-Glucosidases inhibitionAutores:Jose R. Mora, Luis Calle, Marquez E.A.Fuentes:scopusMolecular simulation of the (GPx)-like antioxidant activity of ebselen derivatives through machine learning techniques
ArticleAbstract: The selenoenzyme glutathione peroxidase (GPx) like activity of stable organoselenium compounds has bPalabras claves:3D-QSAR, Computational Modelling, GPx-like activity, Machine learning, organselenium compoundsAutores:Jose R. Mora, Luis Calle, Yovani Marrero-PonceFuentes:googlescopusIn Silico Searching for Alternative Lead Compounds to Treat Type 2 Diabetes through a QSAR and Molecular Dynamics Study
ArticleAbstract: Free fatty acid receptor 1 (FFA1) stimulates insulin secretion in pancreatic β-cells. An advantage oPalabras claves:Agonits of FFA1, Free fatty acid receptor 1, Molecular docking, molecular dynamics, Type 2 DiabetesAutores:José Luis Paz, Jose R. Mora, Kaunas R., Luis Calle, Marquez E.A., Nicolás Cabrera, Sebastian CuestaFuentes:scopusModeling the antileukemia activity of ellipticine-related compounds: QSAR and molecular docking study
ArticleAbstract: The antileukemia cancer activity of organic compounds analogous to ellipticine representes a criticaPalabras claves:Cáncer, Leukemia, Molecular descriptors, molecular modeling, QSARAutores:Flores-Morales V., Insuasty D., Jose R. Mora, Luis Calle, Marquez E.A.Fuentes:scopusQSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compounds
ArticleAbstract: Leishmaniasis affects mainly rural areas and the poorest people in the world. A computational studyPalabras claves:Docking analysis, leishmaniasis, organic selenium compounds, protozoan parasites, QSARAutores:Cortés E., Flores-Morales V., Jose R. Mora, Luis Calle, Marquez E.A., Nicolás CabreraFuentes:scopus