| |
|
|
|
GTCbio, GTC 635 W. Foothill Blvd. Monrovia, CA 91016
2013-05-10
| Day 1 - Thursday, May 9, 2013 | | | | | 7:00 | Registration and Continental Breakfast | | | | | 7:55 | Welcome & Opening Remarks | | | | | | KEYNOTE PRESENTATION | | 8:00 | Roderick E. Hubbard
Senior Fellow, Professor
Vernalis (R&D) Ltd, University of York | | | | Session I: Rising Targets in Drug Discovery | | | | | 8:40 | Identification of JNJ 31020028, a Selective Brain Penetrant and Small Molecule Antagonist of the NPY Y2 Receptor Antagonist | | | Devin Swanson, Senior Associate Scientist, Johnson & Johnson | | | | | 9:05 | Michelle Machacek, Senior Research Chemist, Merck | | | | | 9:40 | John McKew, Chief, Therapeutics Development Branch, NIH Center for Translational Therapeutics, NIH | | | | | 10:05 | Networking & Coffee Break | | | | | 10:45 | Jerome Jenkins, Senior Scientist, Novartis | | | | Session II: Novel Methods in Drug Design | | | | | 11:10 | David Spiegel, Associate Professor of Chemistry, Yale University | | | | | 11:45 | Lunch On Your Own | | | | | 1:15 | Lans Taylor, Director, University of Pittsburgh Drug Discovery Institute, Professor of Computational & Systems Biology,University of Pittsburgh | | 1:40 | Sirtuin Inhibitors as Anticancer Agents | | | Hening Lin, Associate Professor, Chemistry and Chemical Biology, Cornell University | | | | | 2:05 | Juswinder Singh, Chief Science Officer, Celgene | | | | | 2:30 | Christoph Dehnhardt, Associate Director, Medicinal Chemist, Xenon Pharmaceuticals | | | | | 2:55 | Istvan Enyedy, Senior Scientist, Biogen-Idec | | | | | 3:20 | Networking & Coffee Break | | | | Session III: New Computational Methods in Drug Design | | | | | 4:00 | Mark Ashwell, Vice President, Chemistry, ArQule | | | | | 4:25 | Finding and Applying Rules for Successful Drug Discovery | | | Matthew Segall, Chief Executive Officer, Optibrium | | | A high quality drug must exhibit a balance of many properties, including potency, ADME and safety. These are often expressed as property ‘rules’ that a compound must meet in order to progress. Applying these rules effectively in drug discovery is challenging due to the complex, often conflicting property requirements they reflect, combined with uncertain data because of experimental variability or predictive error. We will discuss how methods known as multi-parameter optimization (MPO) are currently being applied to quickly target compounds with the best chance of success, while avoiding missed opportunities.
But, how do we know what rules to use to select good compounds? The property criteria depend on the objectives of the project, such as therapeutic area and route of administration and are typically determined by the project team, based on their opinions and experience. We will describe how new methods, known as rule induction (RI), can guide this process to identify multi-parameter rules that distinguish successful compounds for a chosen objective. The resulting rules are interpretable and modifiable, allowing experts to understand and adjust them based on their knowledge of the underlying biology and chemistry. Furthermore, the importance of each criterion can be identified, allowing the most important data to be prioritized to make effective compound prioritization decisions.
Benefits:
• Apply MPO to target high quality compounds with a balance of properties
• Consider uncertainty to avoid missed opportunities
• Objectively tailor compound selection rules to project objectives
• Prioritize the most important data to support compound selection decisions | | | | | 4:50 | Oral Presentations from Exemplary Submitted Abstracts | | | To be considered for an oral presentation, please submit an abstract here by April 8, 2013. Selected presentations will be based on quality of abstract and availability. Presentation slots fill up fast so please submit your abstract ASAP. | | | | | 5:20 | Networking Reception | |
| | Day 2 - Friday, May 10, 2013 | | | | | | KEYNOTE PRESENTATION | | 8:00 | TBD | | | | | 8:40 | Computational tools supporting fragment-based drug design | | | Sandor Vajda, Professor, Biomedical Engineering, Boston University | | | | | 9:05 | Ellen Laird, Computational Chemist, Array BioPharma | | | | | 9:40 | David C. Swinney, Chief Executive Officer, Institute for Rare and Neglected Diseases Drug Discovery | | | | | 10:05 | Networking & Coffee Break | | | | | 10:45 | W. Patrick Walters, Principal Research Fellow, Vertex Pharmaceuticals | | | | | 11:20 | TBD | | | | | 11:45 | Development of in Silico Hypothesis for Target and Pathway Modulation Based on a Comprehensive Analysis of Cellular, Biophysical and Pathway Data | | | Meir Glick, Head, Lead Discovery Informatics, Novartis | | | | | 12:10 | Lunch Provided By GTC | | | | Session IV: Advances in Hit-Finding Strategies | | | | | 1:30 | Whole Organism Chemcial Screens to Identify Modulators of FGFs | | | Michael Tsang, Associate Professor, Department of Developmental Biology, University of Pittsburgh | | | Bioactive small molecules are an invaluable source of therapeutics and probes for exploring human disease. A significant hurdle in the discovery process is the identification of cellular binding partners for compounds revealed from phenotypic screens. Since these small molecule interactions govern their activity, both on and off target, knowledge of the compound-target landscape is essential for understanding compound mechanism-of-action and safety.
The Development and Molecular Pathways (DMP) department at the Novartis Institutes of Biomedical Research embraces chemical genetic approaches with the aim of discovering novel first- in-class targets for small molecule therapeutics. To help overcome the hurdle of identifying the molecular targets of small molecules, we describe the use of Size-Exclusion Chromatography for Target Identification (SEC-TID) for both efficacy target identification and exploration of off-targets for bioactive small molecules. Performed in high-throughput, 96- or 384-well format and using label-free detection, this technology enables the identification of specific small molecule-protein interactions using a library containing thousands of potential interacting proteins.
The SEC-TID platform currently contains thousands of purified recombinant proteins representing a sizeable portion of the small molecule ligandable proteome. By using microplate-based size-exclusion chromatography and subsequent detection of interacting small molecules by liquid chromatography coupled to mass spectrometry (LC-MS), we demonstrate the capability of the technique to accurately and reproducibly detect protein-small molecule interactions.
BENEFITS
- A new label-free/high-throughput method for small molecule target identification
- On/off targets | | | | | 1:55 | John Mathias, Senior Director, Head of Medicinal Chemistry, Inflammation & Remodeling, Pfizer | | | | | 2:20 | TBD | | 2:45 | Eddine Saiah, Director of Medicinal Chemistry, Pfizer | | | | | 3:30 | Conference Concludes |
|
|
|
|
|
|
|
|
Organized by:
|
|
GTCbio |
|
|
Invited Speakers:
|
|
| Keynote Speaker | | | Roderick E. Hubbard
Professor, Senior Fellow
University of York, Vernalis | | | | Distinguished Speakers | | | Mark Ashwell
Vice President, Chemistry
ArQule | | | Simon Bailey
Senior Director, Worldwide Medicinal Chemistry Oncology
Pfizer | | | Christoph Dehnhardt
Associate Director, Medicinal Chemist
Xenon Pharmaceuticals | | | Istvan Enyedy
Senior Scientist
Biogen Idec | | | Meir Glick
Head, Lead Discovery Informatics
Novartis | | | Jerome Jenkins
Senior Scientist
Novartis | | | Ellen Laird
Research Fellow, Computational Chemistry
Array BioPharma | | | Hening Lin
Associate Professor
Cornell University | | | Michelle Machacek
Senior Research Chemist
Merck | | | John Mathias
Senior Director, Head of Medicinal Chemistry, Inflammation
Pfizer | | | John McKew
Research Division Director
NIH | | | Michelle Palmer
Director Discovery and Preclinical Research
Broad Institute of MIT and Harvard | | | Eddine Saiah
Research Fellow
Pfizer | | | Matthew Segall
Chief Executive Officer
Optibrium | | | Juswinder Singh
Chief Science Officer
Celgene | | | David Spiegel
Associate Professor, Chemistry
Yale University | | | Devin Swanson
Senior Associate Scientist
Johnson & Johnson | | | David Swinney
CEO
Institute for Rare and Neglected Diseases Drug Discovery | | | Lans Taylor
Director
University of Pittsburgh | | | Michael Tsang
Associate Professor, Developmental Biology
University of Pittsburgh | | | Sandor Vajda
Professor, Biomedical Engineering
Boston University | | | Patrick Walters
Principal Research Fellow
Vertex Pharmaceuticals | | |
|
|
|
|
|
|
|
|
Deadline for Abstracts:
|
|
2013/04/08
|
|
|
|
|
|
|
|
Registration:
|
|
Please visit https://www.gtcbio.com/index.php?option=com_register&cn=7th%20Drug%20Design%20&cid=46 for registration.
|
|
|
E-mail:
|
|
infogtcbio@gtcbio.com
|
|
|
|
|
|
|
|
|