SESSION 2
Rational Approaches to Addressing ADME Challenges in Drug Discovery
Session Chair: Max Cummings, Johnson & Johnson
Monday, 9 February 2015
from 14:00 to 17:00
| Speakers | Title |
| Andrea Cavalli, University of Bologna, Bologna, Italy | Minimal Structural Requirements for High Potency for hERG Block |
| Maarten Huisman, Janssen R&D, Beerse, Belgium | How to Best Optimize Your Compound's Target Occupancy Profile, Also Considering Long Residence Times |
| Charles A Lesburg, Merck Research Laboratories, Boston, USA | Structural Toxicology: SBDD Approaches to PXR Binding |
| Matthew Segall, Optibrium, Cambridge, UK | Quantum Mechanical Models of P450 Metabolism to Guide Optimization of Metabolic Stability |
| Robert Sheridan, Merck Research Laboratories, Rahway, USA | QSAR Models for Off-Target Activities and How to Use Them |
Session 2 Summary
Goals
- Showcase the use of structure based drug design in overcoming ADME-related challenges in drug discovery
- Foster discussion of any areas of perceived low-hanging fruit for the application of SBDD to ADME issues
Issues/topics
- PXR
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