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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Detalhes bibliográficos
Main Authors: Mader, Pavel, Pecina, Adam, Cígler, Petr, Lepšík, Martin, Šícha, Václav, Hobza, Pavel, Grüner, Bohumír, Fanfrlík, Jindřich, Brynda, Jiří, Řezáčová, Pavlína
Formato: Artigo
Idioma:Inglês
Publicado em: Hindawi Publishing Corporation 2014
Assuntos:
Research Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4189773/
https://ncbi.nlm.nih.gov/pubmed/25309911
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2014/389869
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