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Docking, Binding Free Energy Calculations and In Vitro Characterization of Pyrazine Linked 2-Aminobenzamides as Novel Class I Histone Deacetylase (HDAC) Inhibitors

Class I histone deacetylases, HDAC1, HDAC2, and HDAC3, represent potential targets for cancer treatment. However, the development of isoform-selective drugs for these enzymes remains challenging due to their high sequence and structural similarity. In the current study, we applied a computational ap...

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Detalles Bibliográficos
Autores principales:	Bülbül, Emre F., Melesina, Jelena, Ibrahim, Hany S., Abdelsalam, Mohamed, Vecchio, Anita, Robaa, Dina, Zessin, Matthes, Schutkowski, Mike, Sippl, Wolfgang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032825/ https://www.ncbi.nlm.nih.gov/pubmed/35458724 http://dx.doi.org/10.3390/molecules27082526

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