A strategy for theoretical binding constant, Ki, calculations for neuraminidase aromatic inhibitors designed on the basis of the active site structure of influenza virus neuraminidase.

@article{Jedrzejas1995ASF,
  title={A strategy for theoretical binding constant, Ki, calculations for neuraminidase aromatic inhibitors designed on the basis of the active site structure of influenza virus neuraminidase.},
  author={Mark J Jedrzejas and Shashi Bhushan Singh and Wayne J. Brouillette and Gillian M. Air and Ming Luo},
  journal={Proteins},
  year={1995},
  volume={23 2},
  pages={264-77}
}
Neuraminidase (NA) is one of the two major surface antigens of influenza virus. It plays an indispensable role in the release and spread of progeny virus particles during infection. NA inhibitors reduce virus infection in animals. To improve the clinical efficacy of NA inhibitors, we have begun the design of non-carbohydrate inhibitors based on the active site structure of NA. The approach is an iterative process of ligand modeling and electrostatic calculations followed by chemical synthesis… CONTINUE READING