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

Authors
  • Massova, I
  • Martin, P
  • Bulychev, A
  • Kocz, R
  • Doyle, M
  • Edwards, B F
  • Mobashery, S
Type
Published Article
Journal
Bioorganic & Medicinal Chemistry Letters
Publisher
Elsevier
Publication Date
Sep 22, 1998
Volume
8
Issue
18
Pages
2463–2466
Identifiers
PMID: 9873562
Source
Medline
License
Unknown

Abstract

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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