Computational models for prediction of interactions with ABC-transporters.

@article{Ecker2008ComputationalMF,
  title={Computational models for prediction of interactions with ABC-transporters.},
  author={Gerhard F. Ecker and Thomas Stockner and Peter Chiba},
  journal={Drug discovery today},
  year={2008},
  volume={13 7-8},
  pages={
          311-7
        }
}
The polyspecific ligand recognition pattern of ATB-binding cassette (ABC)-transporters, combined with the limited knowledge on the molecular basis of their multispecificity, makes it difficult to apply traditional molecular modelling and quantitative structure-activity relationships (QSAR) methods for identification of new ligands. Recent advances relied mainly on pharmacophore modelling and machine learning methods. Structure-based design studies suffer from the lack of available protein… CONTINUE READING
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Rapid identification of P-glycoprotein substrates and inhibitors

  • C Chang
  • Drug Metab. Dispos
  • 2006
Highly Influential
3 Excerpts

Crystal structure of a catalytic intermediate of the maltose transporter

  • Oldham, M.L
  • Nature
  • 2007

Evidence for a Sav1866-like architecture for the human multidrug transporter P-glycoprotein

  • J. K. Zolnerciks
  • FASEB J
  • 2007
1 Excerpt

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