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Classical QSAR and docking simulation of 4-pyridone derivatives for their antimalarial activity
ArticleAbstract: In this work, the minimum energy structures of 22 4-pyridone derivatives have been optimized at DensPalabras claves:Computational study, DFT, Molecular descriptors, Nitrogen compoundsAutores:Alcázar J.J., Flores-Sumoza M., Jose R. Mora, Lezama J., Marquez E.A., Puello-Polo E.Fuentes:googlescopusTheoretical study of the adsorption process of antimalarial drugs into acrylamide-base hydrogel model using DFT methods: The first approach to the rational design of a controlled drug delivery system
ArticleAbstract: The interaction between three widely used antimalarial drugs chloroquine, primaquine and amodiaquinePalabras claves:Binding energy, Computational modeling, Drug-delivery system, Hydrogel, Hydrogen bond, Plasmodium falciparumAutores:Cortés E., De Moya A., Jose R. Mora, Marquez E.A., Puello-Polo E., Rangel N., Trilleras J.Fuentes:googlescopus