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Updated: Dec 23, 2025

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Applied Biophysical Methods in Fragment-Based Drug Discovery.

Joe Coyle1, Reto Walser1

  • 1Astex Pharmaceuticals, Cambridge, UK.

SLAS Discovery : Advancing Life Sciences R & D
|April 30, 2020
PubMed
Summary

Fragment-based drug discovery (FBDD) utilizes biophysical methods for hit identification. This review guides novice users through challenges and benefits of thermal shift, SPR, and NMR in FBDD projects.

Keywords:
FBDDbiophysicsdrug discoveryfragment screening

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Area of Science:

  • Biochemistry
  • Drug Discovery
  • Structural Biology

Background:

  • Fragment-based drug discovery (FBDD) has advanced significantly, evidenced by four FDA-approved drugs.
  • Biophysical techniques are crucial for identifying and validating drug fragments in FBDD.
  • Common biophysical methods like thermal shift, SPR, and NMR can present challenges for new researchers.

Purpose of the Study:

  • To provide a guide for non-expert users of biophysical methods in FBDD.
  • To summarize potential problems and challenges associated with thermal shift, SPR, and NMR.
  • To highlight the advantages and contributions of each method to FBDD.

Main Methods:

  • Thermal shift assays
  • Surface Plasmon Resonance (SPR)
  • Nuclear Magnetic Resonance (NMR) spectroscopy

Main Results:

  • Discussion of common challenges encountered with thermal shift, SPR, and NMR.
  • Explanation of the specific benefits each method offers to FBDD campaigns.
  • Guidance on overcoming technical hurdles in biophysical screening.

Conclusions:

  • Biophysical methods are essential for successful FBDD, despite potential user challenges.
  • Understanding the strengths and weaknesses of thermal shift, SPR, and NMR aids in method selection.
  • This review aims to demystify these techniques, supporting both structure-guided and non-structure-focused FBDD.