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Structure-based drug design (SBDD): Every structure tells a story...

Summary

In this article we report how protein-ligand X-ray structures can be used to identify and develop new drug candidates. The structure-based drug design approach (SBDD) is described, illustrating the way crystallographic information is utilized in an iterative manner to identify and optimize novel lead compounds, thereby accelerating the overall drug discovery process. The requirements for the effective use of SBDD and its implementation, drawing upon case histories from our Thymidylate Synthase (TS) research program, are described.

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Reich, S.H., Webber, S.E. Structure-based drug design (SBDD): Every structure tells a story.... Perspectives in Drug Discovery and Design 1, 371–390 (1993). https://doi.org/10.1007/BF02174536

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Key words

  • Structure-based
  • Design
  • Crystallography
  • Receptor
  • Binding
  • Inhibitor