Identification of Potential Allosteric Site Binders of Indoleamine 2,3-Dioxygenase 1 from Plants: A Virtual and Molecular Dynamics Investigation

Ligand and structure-based computational screenings were carried out to identify flavonoids with potential anticancer activity. Kushenol E, a flavonoid with proven anticancer activity and, at the same time, an allosteric site binder of the enzyme indoleamine 2,3-dioxygenase-1 (IDO1), was used as the...

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Detalles Bibliográficos
Autores principales: de Almeida, Vitor Martins, Santos-Filho, Osvaldo Andrade
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502501/
https://www.ncbi.nlm.nih.gov/pubmed/36145319
http://dx.doi.org/10.3390/ph15091099

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502501/
https://www.ncbi.nlm.nih.gov/pubmed/36145319
http://dx.doi.org/10.3390/ph15091099

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