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Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations

Carborane-based compounds are promising lead structures for development of inhibitors of carbonic anhydrases (CAs). Here, we report structural and computational analysis applicable to structure-based design of carborane compounds with selectivity toward the cancer-specific CAIX isoenzyme. We determi...

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Detalles Bibliográficos
Autores principales:	Mader, Pavel, Pecina, Adam, Cígler, Petr, Lepšík, Martin, Šícha, Václav, Hobza, Pavel, Grüner, Bohumír, Fanfrlík, Jindřich, Brynda, Jiří, Řezáčová, Pavlína
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Hindawi Publishing Corporation 2014
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4189773/ https://www.ncbi.nlm.nih.gov/pubmed/25309911 http://dx.doi.org/10.1155/2014/389869

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