Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods

@article{Zhang2016DiscoveryOP,
  title={Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods},
  author={X. Zhang and Fang Lu and Yankun Chen and Ganggang Luo and Lu-di Jiang and Lian-sheng Qiao and Yan-Ling Zhang and Yuhong Xiang},
  journal={Evidence-based Complementary and Alternative Medicine : eCAM},
  year={2016},
  volume={2016}
}
  • X. Zhang, Fang Lu, +5 authors Yuhong Xiang
  • Published 2016
  • Medicine, Computer Science
  • Evidence-based Complementary and Alternative Medicine : eCAM
P2Y1 receptor (P2Y1R), which belongs to G protein-coupled receptors (GPCRs), is an important target in ADP-induced platelet aggregation. The crystal structure of P2Y1R has been solved recently, which revealed orthosteric and allosteric ligand-binding sites with the details of ligand-protein binding modes. And it suggests that P2Y1R antagonists, which recognize two distinct sites, could potentially provide an efficacious and safe antithrombotic profile. In present paper, 2D similarity search… Expand
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References

SHOWING 1-10 OF 41 REFERENCES
P2Y1 antagonists: combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring.
Development of selective agonists and antagonists of P2Y receptors
Two disparate ligand-binding sites in the human P2Y1 receptor
An efficient multistep ligand-based virtual screening approach for GPR40 agonists
Architecture of P2Y nucleotide receptors: structural comparison based on sequence analysis, mutagenesis, and homology modeling.
In-vitro Antiproliferative Activity of New Tetrahydroisoquinolines (THIQs) on Ishikawa Cells and their 3D Pharmacophore Models.
Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists.
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