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={Jianghong An and Davy C. W. Lee and Anna Hing-Yee Law and Cindy L. H. Yang and Leo L. M. Poon and Allan Sik Yin Lau and Steven J. M. Jones},
  journal={Journal of medicinal chemistry},
  year={2009},
  volume={52 9},
  pages={
          2667-72
        }
}
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… 
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