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Modeling 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:scopusUnderstanding the lack of reactivity of 2,4-dihydroxybenzaldehyde towards the biginelli adduct using density functional theory molecular modeling
ArticleAbstract: The Biginelli reaction is a multicomponent reaction for obtaining dihydropyrimidinthiones quickly, wPalabras claves:density functional theory, Dihydropyrimidinthione derivatives, Intermediaries, Mechanism reaction, One-pot reactionAutores:Ayala-Medrano E.D., Flores-Morales V., García-Elías J., Jose R. Mora, Marquez E.A., Martínez-Fierro M.L.Fuentes:googlescopusUnveiling the structure-reactivity relationship involved in the reaction mechanism of the HCl-catalyzed alkyl t-butyl ethers thermal decomposition. A computational study
ArticleAbstract: The gas-phase thermal decomposition of a series of alkyl t-butyl ethers catalyzed by hydrogen chloriPalabras claves:ethers decomposition, hydrogen chloride, reaction mechanism, structure-reactivity relationshipAutores:César H. Zambrano, Fernando Javier Torres, Flores-Morales V., Jose R. Mora, Lorena Maribel Meneses-Olmedo, Luis Rincon, Marquez E.A., Sebastian CuestaFuentes: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:scopusSynthesis, In Vitro, and In Silico Analysis of the Antioxidative Activity of Dapsone Imine Derivatives
ArticleAbstract: Dapsone (DDS) is an antibacterial drug with well-known antioxidant properties. However, the antioxidPalabras claves:antioxidant in vitro, dapsone imines, dapsone-derivativesAutores:Avelar M., Flores-Morales V., Guzmán-Ávila R., Jose R. Mora, Marquez E.A., Rivera-Islas J., Rivera-Leyva J.C.Fuentes:googlescopus