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Article(3)
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Biointerface Research in Applied Chemistry(1)
Computational and Theoretical Chemistry(1)
Journal of the Chilean Chemical Society(1)
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: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:googlescopusTHEORETICAL INVESTIGATION of the MOLECULAR STRUCTURE and MOLECULAR DOCKING of ETORICOXIB
ArticleAbstract: In this work, a computational chemical study of Etoricoxib was carried out at the X/6311G(d,p) (wherPalabras claves:activity, COX-2, DFT, docking, EtoricoxibAutores:Cardona Villada W., Gerli L., Lorena Maribel Meneses-Olmedo, Mendoza-Huizar L.H., Sadasivam K., Salgado Moran G., Sebastián Cuesta HoyosFuentes:scopus