Počet záznamů: 1
Design of HIV protease inhibitors based on inorganic polyhedral metallacarboranes
- 1.0332864 - ÚOCHB 2010 RIV US eng J - Článek v odborném periodiku
Řezáčová, Pavlína - Pokorná, Jana - Brynda, Jiří - Kožíšek, Milan - Cígler, Petr - Lepšík, Martin - Fanfrlík, Jindřich - Řezáč, Jan - Grantz Šašková, Klára - Sieglová, Irena - Plešek, Jaromír - Šícha, Václav - Grüner, Bohumír - Oberwinkler, H. - Sedláček, Juraj - Kräusslich, H. G. - Hobza, Pavel - Král, V. - Konvalinka, Jan
Design of HIV protease inhibitors based on inorganic polyhedral metallacarboranes.
Journal of Medicinal Chemistry. Roč. 52, č. 22 (2009), s. 7132-7141. ISSN 0022-2623. E-ISSN 1520-4804
Grant CEP: GA AV ČR IAAX00320901; GA MŠMT LC512; GA MŠMT LC523
GRANT EU: European Commission(XE) 37693 - HIV PI RESISTANCE
Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z50520514; CEZ:AV0Z40320502
Klíčová slova: HIV protease inhibitors * aspartic proteases * viral resistance * cobalt bis(dicarbollide) * crystal structure
Kód oboru RIV: CC - Organická chemie
Impakt faktor: 4.802, rok: 2009
HIV protease (HIV PR) is a primary target for anti-HIV drug design. We have previously identified and characterized substituted metallacarboranes as a new class of HIV protease inhibitors. In a structure guided drug design effort, we connected the two cobalt bis(dicarbollide) clusters with a linker to substituted ammonium group. We explored inhibition properties of these compounds with various substitutions, determined the HIV PR:inhibitor crystal structure, and computationally explored the conformational space of the linker. Our results prove the capacity of linker-substituted dual-cage cobalt bis(dicarbollides) as lead compounds for design of more potent inhibitors of HIV PR.
Trvalý link: http://hdl.handle.net/11104/0177990
Počet záznamů: 1