The bound conformation of microtubule-stabilizing agents: NMR insights into the bioactive 3D structure of discodermolide and dictyostatin.

@article{Canales2008TheBC,
  title={The bound conformation of microtubule-stabilizing agents: NMR insights into the bioactive 3D structure of discodermolide and dictyostatin.},
  author={{\'A}ngeles Canales and Ruth Matesanz and Nicola M. Gardner and Jos{\'e} M Andreu and Ian Paterson and J Fernando D{\'i}az and Jes{\'u}s Jim{\'e}nez-Barbero},
  journal={Chemistry},
  year={2008},
  volume={14 25},
  pages={7557-69}
}
A protocol based on a combination of NMR experimental data with molecular mechanics calculations and docking procedures has been employed to determine the microtubule-bound conformation of two microtubule-stabilizing agents, discodermolide (DDM) and dictyostatin (DCT). The data indicate that tubulin in assembled microtubules recognizes DDM through a conformational selection process, with minor changes in the molecular skeleton between the major conformer in water solution and that bound to… CONTINUE READING

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The Nuclear Overhauser Effect in Structural and Conformational Analysis, VCH

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