title: Carborane-based carbonic anhydrase inhibitors.
abstract: CA inhibitors: Human carbonic anhydrases (CAs) are diagnostic and therapeutic targets. Various carborane cages are shown to act as active-site-directed inhibitors, and substitution with a sulfamide group and other substituents leads to compounds with high selectivity towards the cancer-specific isozyme IX. Crystal structures of the carboranes in the active site provide information that can be applied to the structure-based design of specific inhibitors.
authors.affiliation: Institute of Molecular Genetics, Academy of Sciences of the Czech Republic, v.v.i. Vídeňská 1083, 142 20 Prague 4 (Czech Republic); Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i. Flemingovo nám. 2, 16610 Prague 6 (Czech Republic).
authors.forename: Jiří
authors.initials: J
authors.lastname: Brynda
authors.forename: Pavel
authors.initials: P
authors.lastname: Mader
authors.forename: Václav
authors.initials: V
authors.lastname: Šícha
authors.forename: Milan
authors.initials: M
authors.lastname: Fábry
authors.forename: Kristýna
authors.initials: K
authors.lastname: Poncová
authors.forename: Mario
authors.initials: M
authors.lastname: Bakardiev
authors.forename: Bohumír
authors.initials: B
authors.lastname: Grüner
authors.forename: Petr
authors.initials: P
authors.lastname: Cígler
authors.forename: Pavlína
authors.initials: P
authors.lastname: Řezáčová
mesh_terms: D002257:Carbonic Anhydrase Inhibitors / Q000494:pharmacology*; D015195:Drug Design; D055808:Drug Discovery; D006801:Humans; D013329:Structure-Activity Relationship
chemical_list: D002257:Carbonic Anhydrase Inhibitors
keywords: carbonic anhydrases; carboranes; drug discovery; inhibitors; structure elucidation