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Structure-based discovery of a new class of Hsp90 inhibitors
Posted June 8th, 2010 by pschmidtke
| Title | Structure-based discovery of a new class of Hsp90 inhibitors |
| Publication Type | Journal Article |
| Year of Publication | 2005 |
| Authors | Barril, X, Brough P, Drysdale M, Hubbard RE, Massey A, Surgenor A, Wright L |
| Journal | Bioorganic & medicinal chemistry letters |
| Volume | 15 |
| Issue | 23 |
| Pagination | 5187 - 5191 |
| Date Published | 2005/12/01/ |
| Keywords | &, Heat-Shock, HSP90, Humans;, inhibitors;, Molecular, Naphthols/chemistry/pharmacology, Proteins/antagonists, Structure; |
| 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. |
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