Journal of Medicinal Chemistry · 2007 · 164 citations · 12 references
PharmacyMedicinal ChemistryOncologyDrug DesignDrug DiscoveryLead OptimizationChemical Space ExplorationEnzyme InhibitionLigand-based DesignOncology PharmacologyPotency OptimizationCatalytic Site ArchitectureChemical Synthesis Of AnaloguesEnzyme Catalytic MechanismEnzyme Inhibitor DiscoveryEnzyme Inhibitor SynthesisHistone DeacetylasesMedicinal Chemistry ApplicationsPharmacological Potency
Significant effort is being made to understand the role of HDAC isotypes in human cancer and to develop antitumor agents with better therapeutic windows. A part of this endeavor was the exploration of the 14 A internal cavity adjacent to the enzyme catalytic site, which led to the design and synthesis of compound 4 with the unusual bis(aryl)-type pharmacophore. SAR studies around this lead resulted in optimization to potent, selective, nonhydroxamic acid HDAC inhibitors.
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Structures of a histone deacetylase homologue bound to the TSA and SAHA inhibitors
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Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
John R. Somoza, R.J. Skene, B.A. Katz et al. · Structure · 2004 · 698 citations · Full text
Alessandro Vannini, Cinzia Volpari, Gessica Filocamo et al. · Proceedings of the National Academy of Sciences · 2004 · 627 citations · Full text