Fragment Based Lead Discovery Agenda

Registration

Screening Tactics for Improving the Impact of Fragment Binding Information on the Different Stages of Lead Discovery
Stefan Geschwindner, Principal Scientist, AstraZeneca R&D Molndal, Sweden

The presentation will demonstrate available fragment screening methodologies and approaches and how their different information content is being used at the various stages of early lead discovery. This will be illustrated by providing some project examples from different discovery stages.

Coffee Break and Networking in the Exhibition Hall

NMR and FBLD: From Fragment Screening of GPCRs to Rapid Structure Elucidation
Gregg Siegal, Professor, Leiden University, Netherlands

The strengths of NMR can be brought to bear on multiple aspects of FBLD. Two examples include finding novel ligands for GPCRs and elucidating structures of target-fragment complexes. My lecture will present case studies illustrating each of these areas and how they can be integrated into a single, efficient process to support FBDD efforts

Fragment-Based Approaches Applied to G Protein-Coupled Receptors (GPCRs)
Iwan De Esch, Associate Professor, VU University Amsterdam, Netherlands

In recent years, highly innovative fragment-based drug discovery technologies and approaches have been developed for a variety of drug target classes and these can now be used to study ligand-GPCR interaction.

Lunch and Networking in the Exhibition Hall

Poster Session

Fragment Based Drug Discovery of Selective Inhibitors of Fibroblast Growth Factor Receptor
Gordon Saxty, Associate Director/Chair, Astex Therapeutics, United Kingdom

A fragment screening campaign was conducted against the tyrosine kinase domain of FGFR1 to detect low molecular weight compounds. The talk will demonstrate a F2L campaign from a 120 uM hit to 0.003 uM (in FGFR3) with activity in an FGFR driven xenograft model when dosed by the oral route.

Coffee Break and Networking in the Exhibition Hall

Fragment-Based Screening and Structure-Based Design at ICR: Discovering High Quality Leads in Cancer Drug Discovery
Rob Montfort, Leader, The Institute of Cancer Research, United Kingdom

Development and integration of fragment based drug discovery at ICR and its combination with existing high-throughput methods.

Fragment Based Approaches to GPCRs
John Christopher, Associate Director, Heptares Therapeutics Limited, United Kingdom

An overview of Heptares’ proprietary GPCR stabilisation technology will be presented, together with examples of how the approach has opened up the GPCR target class to hit discovery through fragment screening.

Drinks Reception

Chemical Space as a Source for New Fragments
Jean-Louis Reymond, Professor, The University of Bern, Switzerland

Molecular Probes as Starting Point for Structure-Based Lead Development
Andreas Heine, Head of X-ray Crystallography, Philipps Universitat Marburg, Germany

Highly soluble probe molecules were selected to experimentally map out protein binding pockets to detect hot spots of binding. Protein kinase A in complex with phenol as molecular probe served as a starting point for further structure-based lead development.

Coffee Break and Networking in the Exhibition Hall

Fragment Based Drug Discovery - Getting in Shape
Doris Hafenbradl, Senior Director, Biofocus, Switzerland

A comparison of fragment screening technologies SPR, Fluorescence Lifetime Technology, Caliper LC3000 and Thermophoresis demonstrates the strength of each approach. Besides the screening method also the selection and design of fragments is key. Shape and flexibility are some of the new parameters.

Fragment Based de novo Ligand Design: A Valuable Optimisation Tool in Fragment Based Lead Discovery'
Peter Johnson, Research Professor, University of Leeds, United Kingdom

There is an obvious synergy between experimental fragment based drug design (FBDD) and computational fragment based de novo design (FBDND). The underlying methodology of FBDND will be discussed as will its successful application to antimalarial lead discovery.

Lunch and Networking in the Exhibition Hall

Poster Session

From Fragment to Lead: Integration of SPR Biosensor Technology into the Drug Discovery Process
Helena Danielson, Professor, Uppsala University, Sweden

Biosensors with SPR detection are well suited for fragment based discovery, enabling a versatile experimental design and information rich output. The technology can be used throughout the drug discovery process and complements other techniques well.

Emerging Applications of SPR Fragment Screening
Andrew Hopkins, Professor, University of Dundee, United Kingdom

SPR is emerging as a primary screening methodology for fragment-based drug discovery. Here we discuss recent applications including advances in GPCR fragment screening.

Coffee Break and Networking in the Exhibition Hall

Fragment Screening Using Capillary Electrophoresis
Simon Pettit, Group Leader, Selcia Ltd, United Kingdom

A novel method of fragment screening using capillary electrophoresis has been developed at Selcia. Recently the technique has been extended to enable fragment screening on peptide:protein and protein:protein interaction targets.

Hedging Your BETs – The Benefit of Phenotypic and Fragment approaches
Chun-Wa Chung, Research Manager, GlaxoSmithKline, United Kingdom

This presentation describes the use of phenotypic and fragment based approaches to identify protein-protein inhibitors that disrupt the interaction between BET bromodomains and chromatin, and the benefits of exploring novel target classes using these disparate methods.

Close of Conference