Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor

@article{Rodrguez2015MolecularDS,
  title={Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor},
  author={David Rodr{\'i}guez and Zhang-Guo Gao and Steven M. Moss and Kenneth A. Jacobson and Jens Carlsson},
  journal={Journal of chemical information and modeling},
  year={2015},
  volume={55 3},
  pages={550-63}
}
Crystal structures of G protein-coupled receptors (GPCRs) have recently revealed the molecular basis of ligand binding and activation, which has provided exciting opportunities for structure-based drug design. The A2A adenosine receptor (A2AAR) is a promising therapeutic target for cardiovascular diseases, but progress in this area is limited by the lack of novel agonist scaffolds. We carried out docking screens of 6.7 million commercially available molecules against active-like conformations… CONTINUE READING
Related Discussions
This paper has been referenced on Twitter 2 times. VIEW TWEETS

References

Publications referenced by this paper.
Showing 1-10 of 68 references

Similar Papers

Loading similar papers…