ChemMedChem · 2010 · 50 citations · 12 references
PharmacyBiochemistryMedicinal ChemistryDrug DesignDrug DiscoveryMolecular OncologyEnzyme InhibitionFragment-based Drug DesignFragment-based Lead DiscoveryFragment-based OptimizationMolecular ChaperonesChaperone InhibitorsChaperone-substrate InteractionsChaperone-substrate RecognitionFragment OptimizationFragment-based DiscoveryHsp90 Chaperone SystemOncogenic TransformationProtein-protein Interaction Inhibitor Discovery
Hooking up! Hsp90 is a molecular chaperone involved in the stabilisation of numerous client proteins including those involved in oncogenic transformations. Through a high-throughput biochemical fragment screen, we have identified novel fragment inhibitors of Hsp90. Two fragment hits were combined to give a dual-fragment Hsp90 complex, and the following successful fragment-linking resulted in a 1000-fold improvement in activity.
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Fragment molecular orbital method: an approximate computational method for large molecules
Kazuo Kitaura, Eiji Ikeo, Toshio Asada et al. · Chemical Physics Letters · 1999 · 1.4K citations
Natural Sciences, Chemistry, Physics +10