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Biointerface Research in Applied Chemistry(1)
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Computational study of the binding mode, action mechanism and potency of pregabalin through molecular docking and quantum mechanical descriptors
ArticleAbstract: In the present study, we performed a computational study to gain insights on the binding mode and hiPalabras claves:Gabapentin, Molecular docking, Pregabalin, R-pregabalin, Voltage-gated calcium channelsAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Lorena Meneses, Mendoza-Huizar L.H., Muñoz C. P., Salgado Moran G., Sebastián Cuesta HoyosFuentes:googlescopusA computational study of steviol and its suggested anticancer activity. A DFT and docking study
ArticleAbstract: In the present, study we analyzed the electronic properties of Steviol, the Stevia rebaudiana metaboPalabras claves:Acceptor-donor, Antiapoptotic, BCL-2, DFT, STEVIOLAutores:Belhassan A., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Muñoz P., Salgado G., Sebastian CuestaFuentes:googlescopusMolecular docking and molecular dynamics studies of sars-cov-2 inhibitors: Crocin, digitoxigenin, beta-eudesmol and favipiravir: Comparative study
ArticleAbstract: In this study, Crocin, Digitoxigenin, Beta-Eudesmol, and Favipiravir were docked in the active sitePalabras claves:Beta-Eudesmol, Crocin, Digitoxigenin, Favipiravir, SARS-COV-2Autores:Belhassan A., Bouachrine M., Carlos P.F., Jose R. Mora, Lakhlifi T., Lorena G.C., Mendoza-Huizar L.H., Morán G.S., Sebastian CuestaFuentes:googlescopus