Day Two: Tuesday, February 24

8:30-9:00am Coffee (technology workshop, sponsorship available)

Solid Phase and Solution Phase Synthesis:
The Good, The Bad and The Ugly

9:00-9:10 Chairperson’s Remarks
Dr. Jeff Labadie, Vice President of Chemistry, Argonaut Technologies, Inc.

9:10-9:40 Tablets of Functionalized Polystyrenes Beads Alone and in Combination with Solid Reagents or Catalysts. Preparation and Applications in Parallel Solution-and Solid-Phase Synthesis 
Dr. Thomas Ruhland, Principal Scientist, H. Lundbeck A/S 
Tablets for fast-acting relief from reaction-dosing headaches: Pre-treat-ment of polystyrene beads with a non-polar organic solvent is the trick to generate mechanically robust tablets consisting of neat functionalized polystyrene beads, both alone and in combination with solid reagents or catalysts. The novel dosing methodology provides accurately pre-weighed tablets in virtually any shape and size and with excellent disintegration properties, speeding up parallel solution- and solid-phase synthesis.

9:40-10:10 Synthesis of Diverse Libraries of Carbohydrates and Novel Methods for Heterocycle Synthesis
Dr. Peter H. Seeberger, Laboratory of Organic Chemistry, Swiss Federal Institute of Technology
This talk will describe the preparation of libraries of oligosaccharides by solid phase synthesis and by modification of naturally occurring structures. Microarrays of these compounds were screened for novel antibiotics and for specific binding to RNA targets. Some new methods for heterocycle synthesis will also be described.

10:10-10:55 Coffee Break, Exhibit and Poster Viewing

10:55-11:25 From Solution-Phase Studies to Solid-Phase Synthesis :

A New Indole-Based Scaffold for Combinatorial Chemistry
Dr. David Orain, Research Associate, Ophthalmology Unit, Novartis Institutes for BioMedical Research
The core structure of a natural product was selected as scaffold for combinatorial library synthesis. After evaluation of the possible building blocks and validation of key sequences in solution, an indole-based scaffold was validated. Then, solid-phase chemistry was optimised on this scaffold.

11:25-11:55 Discovery of an Orally Available Raf Kinase Inhibitor
Dr. Bernd Riedl, Director, Medicinal Chemistry, Bayer AG
In collaboration with ONYX Pharmaceuticals, a new orally available Raf Kinase Inhibitor was discovered using classical medicinal chemistry techniques as well as combinatorial chemistry approaches. The Raf Kinase Inhibitor BAY 43-9006 is currently undergoing Phase II clinical trials.

11:55-12:25 Panel Discussion

12:25-1:55 Lunch, Exhibit and Poster Viewing

Combinatorial Chemistry and Arrays

1:55-2:05 Chairperson's remarks
Dr. Mark Bradley, University of Southhampton

2:05-2:35 Real-Time Combinatorial Arrays and Assays for Proteases, Kinases and Transfection Agents
Dr. Mark Bradley, University of Southhampton
This talk will cover the interactions between biology, chemistry and chemical technology and will include: (a) New, highly sensitive method for protease (or kinase) analysis and screening, with the potential to screen 100,000 substrates in a single pass. (b) Chip based library screening and cellular binding assays. (c) The development of highly efficient molecular transporters for both single cells and slice cultures and array based screening.

2:35-3:05 Rapid Lead Generation using Chemical Microarrays
Dr. Ferenc Darvas, ComGenex Ltd.
The post genomic drug-discovery requires novel technologies for rapid and efficient generation of leads using affinity based assays. Thousands of small molecules are attached to a solid surface in an ordered format and provide a platform to study rapidly the affinity profiles of analogue libraries under uniform conditions with minimum requirements for both proteins and small molecules.The compounds are linked through a spe-cial tether to appropriate terminal functional groups enabling to attach them to the glass-surface in high yield and density.

3:05-3:45 Refreshment Break, Exhibit and Poster Viewing

3:45-4:15 Tagged Small Molecule Library Approach to Facilitated Chemical Genetics
Dr. Young-Tae Chang, Assistant Professor, New York University
Although the current chemical genetics approach is very attractive, it contains an intrinsically difficult step: the modification of the lead compound into the affinity molecule without activity loss. To avoid this well-known problem, we propose employing library molecules carrying a Tag (TL: Tagged Library) from the beginning. Several successful demonstrations of this approach will be presented.

Emerging Company Spotlights

4:15-4:35 Chemetics™ - Drug Discovery in One Tube
Alex Gouliaev, Executive Vice President, Drug Discovery, Nuevolution A/S
Nuevolution’s Chemetics™ technology allows the synthesis of ultra-large libraries (10e8-10e14 small molecules) and the subsequent isolation of New Chemical Entities by a selection process mimicking natural evolution. As such, Chemetics™ promises to revolutionize drug discovery. Chemetics™ is a wet chemistry approach enabling DNA-directed, one-pot synthesis and one-pot screening of billions of small drug-like molecules in weeks.

4:35-4:55 Prospective Synthesis - A Systems Approach to Explore and Prioritize Existing and Newly Assembled Synthetic Methods
Dr. Steven Muskal, Chief Technology Officer, Sertanty, Inc.
Our multi-disciplinary informatics platform - LUCIA, empowers drug discovery researchers with the ability to capture, share, survey and explore around existing and newly coupled synthetic strategies. The LUCIA system enables researchers with a suite of tools to explore chemical space through dynamic reaction transforms while prioritizing compounds against computationally efficient eScreens and ADMET models. Leveraging the LUCIA technology and two integrated knowledgebases, one containing chemical reaction transforms and the other containing structure-activity data, our next generation ChIP (Chemical Intelligence Platform) system can prospectively "mix-n-match" compatible synthetic strategies in-silico to explore novel compositions of matter with probable improvements in potency, selectivity, and ADMET profiles. Taking this systems approach, ChIP not only suggests and prioritizes compounds for consideration, but also suggests possible synthetic avenues with corresponding starting materials.

4:55-5:00 Q&A

5:00 Close of Day