DFT and molecular docking investigations of oxicam derivatives

The organic molecule tenoxicam and similar derivatives, piroxicam and isoxicam have been studied by quantum chemical theory (DFT), FT-Raman and FT-IR. By FMOs energies the charge transfer inside the molecules are obtained. The UV-Vis spectra of the compounds are simulated to study the electronic tra...

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Detalles Bibliográficos
Autores principales: Mary, Y.Shyma, Mary, Y.Sheena, Resmi, K.S., Thomas, Renjith
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6667822/
https://www.ncbi.nlm.nih.gov/pubmed/31388594
http://dx.doi.org/10.1016/j.heliyon.2019.e02175

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6667822/
https://www.ncbi.nlm.nih.gov/pubmed/31388594
http://dx.doi.org/10.1016/j.heliyon.2019.e02175

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