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Structure-based discovery of a new class of Hsp90 inhibitors. | LitMetric

Structure-based discovery of a new class of Hsp90 inhibitors.

Bioorg Med Chem Lett

Vernalis (R&D) Ltd, Granta Park, Abington, Cambridge CB1 6GB, UK.

Published: December 2005

AI Article Synopsis

Article 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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Source
http://dx.doi.org/10.1016/j.bmcl.2005.08.092DOI Listing

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