A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase.

@article{An2009ANS,
  title={A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase.},
  author={J. An and Davy C. W. Lee and A. H. Y. Law and Cindy L H Yang and L. L. Poon and A. Lau and S. M. Jones},
  journal={Journal of medicinal chemistry},
  year={2009},
  volume={52 9},
  pages={
          2667-72
        }
}
  • J. An, Davy C. W. Lee, +4 authors S. M. Jones
  • Published 2009
  • Medicine, Chemistry
  • Journal of medicinal chemistry
    • Computational molecular docking provides an efficient and innovative approach to examine small molecule and protein interactions. We have utilized this method to identify potential inhibitors of the H5N1 neuraminidase protein. Of the 20 compounds tested, 4-(4-((3-(2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)propyl)amino)phenyl)-1-chloro-3-buten-2-one (1) (NSC89853) demonstrated the ability to inhibit viral replication at a level comparable to the known neuraminidase inhibitor oseltamivir. Compound… CONTINUE READING
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    References

    SHOWING 1-10 OF 24 REFERENCES
    The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design
    • 666
    Influenza neuraminidase inhibitors possessing a novel hydrophobic interaction in the enzyme active site: design, synthesis, and structural analysis of carbocyclic sialic acid analogues with potent anti-influenza activity.
    • 862
    Remarkable loop flexibility in avian influenza N1 and its implications for antiviral drug design.
    • 135
    Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble
    • 94
    • PDF
    Rational design of potent sialidase-based inhibitors of influenza virus replication
    • 1,545
    p38 Mitogen-Activated Protein Kinase-Dependent Hyperinduction of Tumor Necrosis Factor Alpha Expression in Response to Avian Influenza Virus H5N1
    • 127
    • PDF
    Avian flu: Isolation of drug-resistant H5N1 virus
    • 679
    Neuraminidase Is Important for the Initiation of Influenza Virus Infection in Human Airway Epithelium
    • 521
    • PDF
    Differential onset of apoptosis in influenza A virus H5N1- and H1N1-infected human blood macrophages.
    • 88
    Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes*
    • 329
    • PDF