@article {183, title = {Structure-based discovery of a new class of Hsp90 inhibitors}, journal = {Bioorganic \& medicinal chemistry letters}, volume = {15}, year = {2005}, month = {2005/12/01/}, pages = {5187 - 5191}, abstract = {Docking-based virtual screening identified 1-(2-phenol)-2-naphthol compounds as a new class of Hsp90 inhibitors of low to sub-micromolar potency. Here we report the binding affinities and cellular activities of several members of this class. A high resolution crystal structure of the most potent compound reveals its binding mode in the ATP binding site of Hsp90, providing a rationale for the observed activity of the series and suggesting strategies for developing compounds with improved properties.}, keywords = {\&, Heat-Shock, HSP90, Humans;, inhibitors;, Molecular, Naphthols/chemistry/pharmacology, Proteins/antagonists, Structure;}, author = {Barril, Xavier and Brough,P. and Drysdale,M. and Hubbard,R. E. and Massey,A. and Surgenor,A. and Wright,L.} }