Fragment Screening by Crystallography

Fragment based drug discovery is a modern approach to identify small molecules, which bind with high ligand efficiency to biological targets. Such observations are more and more used by pharmaceutical industry to develop lead compounds within the frame of a drug discovery process. In contrast to traditional HTS-methods, fragment screening requires orders of magnitude smaller compound libraries to screen a comparable chemical space against the target protein.

In addition, fragments constitute powerful molecular probes which can be utilized to map the functional surface of proteins. This makes this method also very interesting for basic structural biology research.

The combination of fragment based drug discovery with synchrotron assisted X-ray crystallography opens the road for a very fast and efficient way to produce huge amounts of experimental data on protein/fragment complexes.

Within this one-day workshop we are aiming to create an up-to-date survey of the method of “Fragment Screening by Crystallography” as well as the presentation of results from its application in industry and academia.

  • Date: December 03, 2014
  • Time: 09:00-18:00
  • Venue: Hörsaal WCRC, Albert-Einstein-Str. 15, 12489 Berlin-Adlershof
  • Topics: Fragment Screening, Drug Discovery, Ligand Binding, X-ray Crystallography
  • Invited speakers:
    • Pamela Williams (ASTEX Ltd.)
    • Frank van Delft (Diamond Light Source)
    • Gerhard Klebe (Uni Marburg)
    • Martina Schäfer (Bayer)
    • Alexei Soares (Brookhaven National Laboratory, USA)
    • Xue Yafeng (Astra Zeneca)