SUNDAY, APRIL 27
2:05 Chairperson’s Introduction
David Bailey, Ph.D, Chief Executive Officer, IOTA Pharmaceuticals Ltd
2:15 Fragment Library Design: Maximizing Success through Intelligent Selection
Douglas R. Davies, Ph.D., Sr. Research Scientist, Crystallography, deCODE biostructures, Inc.
- Fragment properties and the “Rule of 3”
- Privileged scaffolds and fragment selection
- Chemical “handles”: a benefit or a burden?
- Ligand efficiency and “Fragments of Life”
- Pooling compounds for diversity
2:45 Fragment Library Screening: Exploring Pharma Space with Larger Fragment Libraries
David Bailey, Ph.D, Chief Executive Officer, IOTA Pharmaceuticals Ltd
- Measuring diversity within fragment libraries
- Building fragment libraries for specialised screening applications
- IOTA and Vitas-M Lab 5000-component, Diverse and Medchem Fragment libraries
- Validating fragment selection in practice: Case Studies with GPCRs
3:15 High-throughput Crystallography in Context: Efficiency through Miniaturisation
Stefan Steinbacher, Project Manager, Proteros biostructures GmbH
- High-throughput crystallography to translate fragments into leads
- Overview of published results and applications of the technology
- Proteros’s crystallization technology
- Case studies with pharmaceutical targets
3:45 SPR: From Fragment Screening to Lead Optimization - the Biacore Experience
Per Källblad Ph.D., Chief Executive Officer, Beactica AB
- Surface plasmon resonance (SPR) as a tool for fragment-based drug discovery
- Technology benefits and technical challenges
- Case studies: MMP, HIV and HCV drug discovery
4:15 SPR: From fragment screening to Lead Optimization - the Graffinity Experience
Thomas Neumann, Head of Screening, Graffinity Pharmaceuticals GmbH
- The principles of array-based fragment screening
- Advantages and applications of Graffinity’s fragment-screening approach
- Selectivity and binding mode studies at a primary screening level
- Case studies with pharmaceutical targets
4:45 Session Wrap-up
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