Recombinant kinase production and fragment screening by NMR spectroscopy

Byeonggu Han, Hee Chul Ahn

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

1 Scopus citations

Abstract

During the past decade fragment-based drug discovery (FBDD) has rapidly evolved and several drugs or drug candidates developed by FBDD approach are clinically in use or in clinical trials. For example, vemurafenib, a V600E mutated BRAF inhibitor, was developed by utilizing FBDD approach and approved by FDA in 2011. In FBDD, screening of fragments is the starting step for identification of hits and lead generation. Fragment screening usually relies on biophysical techniques by which the protein-bound small molecules can be detected. NMR spectroscopy has been extensively used to study the molecular interaction between the protein and the ligand, and has many advantages in fragment screening over other biophysical techniques. This chapter describes the practical aspects of fragment screening by saturation transfer difference NMR.

Original languageEnglish
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Pages35-46
Number of pages12
DOIs
StatePublished - 2016

Publication series

NameMethods in Molecular Biology
Volume1360
ISSN (Print)1064-3745

Keywords

  • Fragment
  • Fragment-based drug discovery
  • Kinase
  • NMR screening
  • Optimum solubility screening
  • Saturation transfer difference
  • Surface plasmon resonance
  • X-ray crystallography

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