THEORETICAL INVESTIGATION OF THE MOLECULAR STRUCTURE AND MOLECULAR DOCKING OF ETORICOXIB

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THEORETICAL INVESTIGATION OF THE MOLECULAR STRUCTURE AND MOLECULAR DOCKING OF ETORICOXIB

ABSTRACT In this work, a computational chemical study of Etoricoxib was carried out at the X/6311G(d,p) (where X=B3LYP, M06 and ωB97XD) level of theory, at the gas, aqueous and ethanol phases. Through the chemical reactivity descriptors derived from the DFT, it was possible to find that Eto...

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Detalles Bibliográficos
Autores principales:	Sadasivam,Kandasamy, Salgado Moran,Guillermo, Mendoza-Huizar,Luis Humberto, Cardona Villada,Wilson, Gerli Candia,Lorena, Meneses-Olmedo,Lorena Maribel, Cuesta Hoyos,Sebastián
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2020
Materias:	Etoricoxib activity DFT COX-2 docking
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072020000204804
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

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