08:00 | Registration |
09:00 |  | Keynote Presentation Drug Discovery Efforts Mirror the Proverbial Hyper Cycle: What’s Next?
Rathnam Chaguturu, Founder and CEO/Senior Director, SRI International, United States of America
The wealth of chemical diversity that has evolved with biological diversity is underrepresented in the commercial chemical library offerings. The chemical diversity of these libraries is also not always relevant to biological function. Major advances in chemical methodology and library development technology platform are needed to increase the natural product- and drug-like attributes to play their part in improving the success of our drug discovery efforts. |
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10:00 | Coffee & Networking in Exhibition Hall |
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GPCR Drug Discovery |
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10:45 | GPCR Structure-Based Drug Discovery: Identification and Structural Insights into Selective and Non-selective Orexin-1 & 2 Antagonists for the Treatment of Insomnia and Addiction Disorders
Ben Tehan, Senior Computational Chemist, Heptares Therapeutics, United Kingdom
Through the generation and utilisation of OX1 and OX2 StaRs® we have been able to rapidly progress a dual orexin receptor antagonist (DORA) series to a pre-clinical candidate. The structures have also highlighted the unique and differing basis for varied Orexin chemotypes’ selectivity.
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11:30 | Optimisation of P2Y12 Receptor Antagonists for the Treatment of Arterial Thrombosis: Receptor Kinetics and Pharmacodynamic Relevance
Fabrizio Giordanetto, Director, Taros Chemicals GmbH & Co KG, Germany
Antagonism of the P2Y12 receptor results in successful anti-platelet aggregation therapies. The lead optimisation of a series of P2Y12 antagonists with respect to anticoagulation effects, physicochemical and absorption profiles is presented. The observed in vivo effects and pharmacodynamic-pharmacokinetic profiles are discussed in light of the recorded P2Y12 receptor kinetic and the emerging structure-kinetic-relationships. |
12:15 |  Technology Spotlight:
Pythia, The Way to Polypharmacology
Jascha Blobel, Product Manager, Intelligent Pharma
Pharmacological applications of a molecule stand in close relationship with the molecule’s principal targets. We present a technology which allows one to explore this relationship for any small molecule in a fast and easy way.
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12:30 | Lunch & Networking in Exhibition Hall |
13:30 | Poster Viewing Session |
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Fragment Based Lead Discovery |
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14:15 | Current Perspectives in Fragment Based Lead Discovery
Roderick Hubbard, Senior Fellow & Professor, Vernalis R&D Ltd, United Kingdom
I will discuss recent advances in fragment based discovery including progress with challenging targets, new ideas in fragment libraries and for the assessment and evolution of fragments to hits. |
15:00 | Expanding the Scope of Fragment-Based Hit Identification: Targeting Novel Mechanisms in Cancer
Justin Bower, Head, The Beatson Institute for Cancer Research, United Kingdom
This presentation will outline our approach to targeting a novel protein-protein interaction implicated in invasion and metastasis. A biophysical screening platform was used to identify and validate hits followed by structure generation coupled with medicinal chemistry to optimise these compounds. |
15:45 | Coffee & Networking in Exhibition Hall |
16:30 | Design and Application of an X-ray Screening Set for FBDD
Ian Wall, Computational Chemist, GSK, United Kingdom
A summary of the design of an X-ray screening set for use in FBDD and its application to projects.
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17:15 | Pharmacophore-based in silico Fragment Discovery: A Powerful Approach for Lead Design and Optimization
Thierry Langer, CEO, Prestwick Chemical, France
Prof. Langer will showcase the results of a recent research project using pharmacophore-based in silico fragment screening for the discovery of novel attractive starting points for a medicinal chemistry hit to lead optimization program. |
18:00 | Roundtable Discussion - What are the Issues and Challenges in Applying FBLD to a Drug Discovery Program?
Ben Davis, Research Fellow, Vernalis Ltd, United Kingdom
Key areas for discussion:
- How big should an FBLD library be, and what chemical matter should it contain?
- What’s the best way to screen for fragments? Does it make a difference what technique is used?
- How can we best integrate FBLD hits with hits from other drug discovery approaches?
- Is a crystal structure required for a successful FBLD campaign?
The discussions will be held in the Exhibition Hall. |
