Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble

@article{Landon2008NovelDH,
  title={Novel Druggable Hot Spots in Avian Influenza Neuraminidase H5N1 Revealed by Computational Solvent Mapping of a Reduced and Representative Receptor Ensemble},
  author={Melissa R. Landon and Rommie E. Amaro and Riccardo Baron and Chi Ho Ngan and David Ozonoff and J. Andrew McCammon and Sandor Vajda},
  journal={Chemical Biology & Drug Design},
  year={2008},
  volume={71},
  pages={106 - 116}
}
The influenza virus subtype H5N1 has raised concerns of a possible human pandemic threat because of its high virulence and mutation rate. Although several approved anti-influenza drugs effectively target the neuraminidase, some strains have already acquired resistance to the currently available anti-influenza drugs. In this study, we present the synergistic application of extended explicit solvent molecular dynamics (MD) and computational solvent mapping (CS-Map) to identify putative 'hot spots… CONTINUE READING

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References

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Showing 1-10 of 55 references

PTP 1 B as a drug target : recent developments in PTP 1 B inhibitor discovery

  • S. Zhang, Y. ZhangZ.
  • Drug Discovery Today
  • 2007

Simulating the Physical World

  • H. Berendsen
  • 2007

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