Molecular recognition of modified adenine nucleotides by the P2Y(1)-receptor. 2. A computational approach.

@article{Major1999MolecularRO,
  title={Molecular recognition of modified adenine nucleotides by the P2Y(1)-receptor. 2. A computational approach.},
  author={Dan Thomas Major and Efrat Halbfinger and Bilha Fischer},
  journal={Journal of medicinal chemistry},
  year={1999},
  volume={42 26},
  pages={5338-47}
}
The molecular recognition of C2- or C8-substituted ATP derivatives by the P2Y(1)-receptor (P2Y(1)-R) is analyzed using ab initio quantum mechanical calculations. Parameters that may determine ligand specificity toward P2Y(1)-R were examined on reduced models and correlated with the biochemical data for the parent compounds. These include tautomerism and… CONTINUE READING