|CCL 06.04.04 Structure Based Drug Discovery, Whistler, British Columbia|
From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
Date: Sun Oct 23 21:21:24 2005
Subject: 06.04.04 Structure Based Drug Discovery, Whistler, British Columbia
Structure Based Drug Discovery (D6) Supported by Chiron Corporation Organizers: Stephen K. Burley, Brian K. Shoichet and Paul A. Bartlett April 4 - 9, 2006 Fairmont Chateau Whistler Whistler, British Columbia http://www.keystonesymposia.org/Meetings/ViewMeetings.cfm?MeetingID=771 Meeting Summary This conference will focus on several exciting new developments in Structure Based Drug Discovery, including: fragment based lead discovery/lead optimization, high-throughput X-ray and NMR structure determination of protein ligand complexes, computational analyses of ligand-receptor interactions and prediction of novel ligands, ligand binding selectivity, and ADME/toxicity properties. Major/pivotal problems facing both academic and industrial scientists include: (a) understanding precisely what constitutes a good starting point for lead optimization, (b) understanding how best to optimize selectivity and avoid problems with ADME/toxicity, (c) understanding the limitations of currently available in silico methods, (d) understanding how to combine the results of biophysical characterization of protein-ligand interactions with medicinal chemistry to produce potent/selective lead compounds, and (e) developing sufficient expertise/experience to bring membrane proteins and macromolecular interactions within the purview of structure based drug discovery. Upon completion of this conference, participants should: - Appreciate the challenges represented by membrane proteins and macromolecular interactions as targets for structure based drug discovery. - Understand current approaches to fragment based drug discovery. - Appreciate the state-of-the-art in automated approaches to determination of protein-ligand complex structures with solution NMR spectroscopy and X-ray crystallography. - Understand the roles that homology modeling and computational docking play in structure based drug discovery. - Appreciate the contributions that structural studies can make to lead optimization and our understanding of selectivity and ADME/Toxicity. - Understand the limitations of current in silico methods for de novo drug discovery.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!
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