Brian Shoichet, Ph.D.
University of California, San Francisco,
Department of Pharmaceutical Chemistry
Ultra-Large Library Docking to Discover New Chemotypes Conferring New Biology
Thursday, September 27
2 PM
RRI 101
Abstract: Molecular docking screens large compound libraries for molecules that complement a binding site, but do not resemble known ligands. Especially for receptors that with multiple conformations and signaling outcomes, the new molecules can confer new biology. Recent campaigns against b-lactamase and the dopamine D4 receptor will be described, as will new opportunities and challenges arising from an 80-fold increase in the number of readily available molecules, to over 250 million that can be docked.
No comments:
Post a Comment