Templates for design of inhibitors for serine proteases: application of the program DOCK to the discovery of novel inhibitors for thrombin.

@article{Massova1998TemplatesFD,
  title={Templates for design of inhibitors for serine proteases: application of the program DOCK to the discovery of novel inhibitors for thrombin.},
  author={Irina Massova and Patrick E. Martin and Alexey Bulychev and R Kocz and Michael Doyle and Brian F P Edwards and Shahriar Mobashery},
  journal={Bioorganic & medicinal chemistry letters},
  year={1998},
  volume={8 18},
  pages={2463-6}
}
The program DOCK was used to search for novel inhibitors for alpha-thrombin. Four among the top twelve best scoring compounds from the Cambridge Structural Data Base inhibited this enzyme, and three of them inhibited alpha-thrombin in a competitive mode. These molecules are expected to serve as general templates for structural elaboration in targeting diverse serine proteases for selective inhibition. 

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