September
14,
2018
Brian Shoichet, PhD
Professor, Pharmaceutical Chemistry
School of Pharmacy
University of California – San Francisco
Host: Jennifer Golden
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 β-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.
