The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping.

@article{SnchezPedregal2005TheIM,
  title={The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping.},
  author={V{\'i}ctor M S{\'a}nchez-Pedregal and Marcel Reese and Jens Meiler and M. J. J. Blommers and Christian Griesinger and Teresa Carlomagno},
  journal={Angewandte Chemie},
  year={2005},
  volume={44 27},
  pages={
          4172-5
        }
}
  • Víctor M Sánchez-Pedregal, Marcel Reese, +3 authors Teresa Carlomagno
  • Published in Angewandte Chemie 2005
  • Medicine, Chemistry
  • In structure-based drug design, the relative orientationof twocompetitive ligands A and B in the receptor binding pocketplays a central role in the design of high-affinity drugcandidates from weakly bound lead compounds. In thiscommunication we report on the observation of interligandspin-diffusion-mediated transferred-NOE data, which havethe potential to be used for the determination of the relativeorientation of two competitive ligands in the receptor bindingpocket. In many cases, the… CONTINUE READING

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