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Molecular Structure, Spectral Analysis, Molecular Docking and Physicochemical Studies of 3-Bromo-2-hydroxypyridine Monomer and Dimer as Bromodomain Inhibitors

In this paper, both methods (DFT and HF) were used in a theoretical investigation of 3-bromo-2-Hydroxypyridine (3-Br-2HyP) molecules where the molecular structures of the title compound have been optimized. Molecular electrostatic potential (MEP) was computed using the B3LYP/6-311++G(d,p) level of t...

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Detalles Bibliográficos
Autores principales:	Lefi, Nizar, Kazachenko, Aleksandr S., Raja, Murugesan, Issaoui, Noureddine, Kazachenko, Anna S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10054851/ https://www.ncbi.nlm.nih.gov/pubmed/36985641 http://dx.doi.org/10.3390/molecules28062669

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