SANCHEZ-PEDREGAL, Victor M, Karel KUBÍČEK, Jens MEILER, Isabelle LYOTHIER, Ian PATERSON and Teresa CARLOMAGNO. The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide. Angewandte Chemie International Edition. Weinheim: Wiley-VCH Verlag GmbH & Co., 2006, vol. 45, No 44, p. 7388-7394. ISSN 1433-7851.
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Basic information
Original name The tubulin-bound conformation of discodermolide derived by NMR studies in solution supports a common pharmacophore model for epothilone and discodermolide
Name in Czech NMR studium konformace discodermolidu vázaném na tubulin podporuje společný model farmakoforu pro epothilone a discodermolid
Authors SANCHEZ-PEDREGAL, Victor M (724 Spain), Karel KUBÍČEK (203 Czech Republic, guarantor), Jens MEILER (276 Germany), Isabelle LYOTHIER (250 France), Ian PATERSON (826 United Kingdom of Great Britain and Northern Ireland) and Teresa CARLOMAGNO (380 Italy).
Edition Angewandte Chemie International Edition, Weinheim, Wiley-VCH Verlag GmbH & Co. 2006, 1433-7851.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10610 Biophysics
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 10.232
RIV identification code RIV/00216224:14310/06:00032342
Organization unit Faculty of Science
UT WoS 000242285700014
Keywords in English conformation analysis; discodermolide; NMR spectroscopy; structure-activity relationships; tubulin
Tags conformation analysis, discodermolide, NMR Spectroscopy, structure-activity relationships, tubulin
Tags International impact, Reviewed
Changed by Changed by: doc. Mgr. Karel Kubíček, PhD., učo 20563. Changed: 29/3/2010 16:03.
Abstract
Bound to have similarities: Although the overall shape of discodermolide bound to tubulin resembles the structure of the free ligand, the precise conformation and orientation of the lactone ring are different. A partially overlapping pharmacophore model supported by protein-mediated interligand NOE signals is proposed to explain the similar (but not fully equivalent) biological activity of discodermolide and epothilone A.
Abstract (in Czech)
Vázané vykazují podobnosti: Přestože je celkový tvar discodermolidu navázaného na tubulin vvelmi podobný tvaru ve volné formě, orientace a konformace laktonového kruhu jsou jiné. K vysvětlení podobných (ne však plně ekvivalentních) biologických funkcí navrhujeme částečně překrývající se farmakoforový model podporovaný interliganovými NOE signálu.
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