Computational evaluation of bioactive compounds from <i>Viscum album</i> (mistletoe) as inhibitors of p63 for pancreatic cancer treatment.

Dairo, Gbenga; Ilesanmi, Ayooluwa; Balogun, Toheeb; Ward, Matthew; Soendergaard, Mette; Determan, John

Computational evaluation of bioactive compounds from Viscum album (mistletoe) as inhibitors of p63 for pancreatic cancer treatment.

Dairo, Gbenga; Ilesanmi, Ayooluwa; Balogun, Toheeb; Ward, Matthew; Soendergaard, Mette; Determan, John.

Afiliación

Dairo G; Department of Biological Sciences, Western Illinois University, Macomb, IL, USA.
Ilesanmi A; Department of Chemistry, Mississippi University for Women, Columbus, MS, USA.
Balogun T; Department of Biological Sciences, University of California, San Diego, CA, USA.
Ward M; Department of Chemistry, Western Illinois University, Macomb, IL, USA.
Soendergaard M; Department of Chemistry, Western Illinois University, Macomb, IL, USA.
Determan J; Department of Chemistry, Western Illinois University, Macomb, IL, USA.

J Biomol Struct Dyn ; 41(24): 15610-15624, 2023.

Article en En | MEDLINE | ID: mdl-36935102

Asunto(s)

Productos Biológicos; Muérdago; Neoplasias Pancreáticas; Viscum album; Simulación del Acoplamiento Molecular; Neoplasias Pancreáticas/tratamiento farmacológico; Flavonoides/farmacología; Simulación de Dinámica Molecular

Palabras clave

Pancreatic ductal adenocarcinoma; density functional theory; molecular docking; molecular dynamic simulation; tumor-protein63

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Neoplasias Pancreáticas / Muérdago / Productos Biológicos / Viscum album Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Reino Unido

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