- Mader, Pavel
- Pecina, Adam
- Cígler, Petr
- Lepšík, Martin
- Šícha, Václav
-
Hobza, Pavel
Autor Hobza, Pavel Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Gilead Sciences and IOCB Research Center, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic Regional Center of Advanced Technologies and Materials, Department of Physical Chemistry, Palacký University, 77146 Olomouc, Czech Republic
- Grüner, Bohumír
- Fanfrlík, Jindřich
-
Brynda, Jiří
Autor Brynda, Jiří Institute of Molecular Genetics, Academy of Sciences of the Czech Republic, Vídeňská 1083, 140 00 Prague 4, Czech Republic Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Gilead Sciences and IOCB Research Center, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic
-
Řezáčová, Pavlína
Autor Řezáčová, Pavlína Institute of Molecular Genetics, Academy of Sciences of the Czech Republic, Vídeňská 1083, 140 00 Prague 4, Czech Republic Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Gilead Sciences and IOCB Research Center, Flemingovo nam. 2, 166 10 Prague 6, Czech Republic
Hindawi Publishing Open Access od 2001-01-01
PubMed Central od 2013
Europe PubMed Central od 2013
ProQuest Central od 2013
Open Access Digital Library od 2001-01-01
Open Access Digital Library od 2012-12-04
Open Access Digital Library od 2013-01-01
CINAHL Plus with Full Text (EBSCOhost) od 2013-01-01
Medline Complete (EBSCOhost) od 2013-01-01
Health & Medicine (ProQuest) od 2013
ROAD: Directory of Open Access Scholarly Resources od 2013
PubMed
25309911
DOI
10.1155/2014/389869
Knihovny.cz E-zdroje
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 determined the crystal structure of CAII in complex with 1-methylenesulfamide-1,2-dicarba-closo-dodecaborane at 1.0 Å resolution and used this structure to model the 1-methylenesulfamide-1,2-dicarba-closo-dodecaborane interactions with CAIX. A virtual glycine scan revealed the contributions of individual residues to the energy of binding of 1-methylenesulfamide-1,2-dicarba-closo-dodecaborane to CAII and CAIX, respectively.
- MeSH
- glycin chemie MeSH
- inhibitory karboanhydras chemie farmakologie MeSH
- karboanhydrasy chemie MeSH
- katalytická doména MeSH
- krystalografie rentgenová MeSH
- kvantová teorie * MeSH
- lidé MeSH
- molekulární modely * MeSH
- sloučeniny boru chemie farmakologie MeSH
- substrátová specifita účinky léků MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
Sdílet
Název dokumentu
Po ukončení testovacího provozu bude odkaz přesměrován adresu produkční verze portálu Medvik.