Chemical Library Design

Volume 685 of the series Methods in Molecular Biology pp 241-252


Fragment-Based Drug Design

  • Eric FeyfantAffiliated withPfizer Global R&D
  • , Jason B. CrossAffiliated withCubist pharmaceuticals, Inc.
  • , Kevin ParisAffiliated withPfizer Global R&D
  • , Désirée H.H. TsaoAffiliated withPfizer Global R&D

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Fragment-based drug design (FBDD), which is comprised of both fragment screening and the use of fragment hits to design leads, began more than 15 years ago and has been steadily gaining in popularity and utility. Its origin lies on the fact that the coverage of chemical space and the binding efficiency of hits are directly related to the size of the compounds screened. Nevertheless, FBDD still faces challenges, among them developing fragment screening libraries that ensure optimal coverage of chemical space, physical properties and chemical tractability. Fragment screening also requires sensitive assays, often biophysical in nature, to detect weak binders. In this chapter we will introduce the technologies used to address these challenges and outline the experimental advantages that make FBDD one of the most popular new hit-to-lead process.

Key words

Fragment-based drug design fragment screening ligand efficiency NMR X-ray crystallography