Templates for design of inhibitors for serine proteases: application of the program DOCK to the discovery of novel inhibitors for thrombin.
- Published Article
Bioorganic & Medicinal Chemistry Letters
- Publication Date
Sep 22, 1998
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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The corresponding record at NLM can be accessed at https://www.ncbi.nlm.nih.gov/pubmed/9873562