| Literature DB >> 18271516 |
Máté Erdélyi1, Bernhard Pfeiffer, Kurt Hauenstein, Jörg Fohrer, Jürg Gertsch, Karl-Heinz Altmann, Teresa Carlomagno.
Abstract
The conformational properties of the microtubule-stabilizing agent epothilone A ( 1a) and its 3-deoxy and 3-deoxy-2,3-didehydro derivatives 2 and 3 have been investigated in aqueous solution by a combination of NMR spectroscopic methods, Monte Carlo conformational searches, and NAMFIS calculations. The tubulin-bound conformation of epothilone A ( 1a), as previously proposed on the basis of solution NMR data, was found to represent a significant fraction of the ensemble of conformations present for the free ligands in aqueous solution.Entities:
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Year: 2008 PMID： 18271516 DOI： 10.1021/jm7013452
Source DB: PubMed Journal: J Med Chem ISSN： 0022-2623 Impact factor: 7.446