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2006:
Jiménez-Barbero Jesús; Canales Angeles; Northcote Peter T; Buey Rubén M; Andreu José Manuel; Díaz J Fernando
NMR determination of the bioactive conformation of peloruside A bound to microtubules.
Journal of the American Chemical Society 2006;
128(
27):.
We report here on the determination of the conformation of Peloruside A bound to biochemically stabilized microtubules, by using TR-NOESY NMR experiments. As a previous step, the conformation of the free molecule in water solution has also been deduced. Despite the large size of the ring, Peloruside A mainly adopts two conformations in water solution. A conformational selection process takes place, and the microtubules-bound conformer is one of those present in the water solution, different than that existing in chloroform medium. A model of the binding mode to tubulin has also been proposed, by docking the bioactive conformation of peloruside, which involves the alpha-tubulin monomer, in contrast with taxol, which binds to the beta-monomer.
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