Chemical Communications · 2018 · 76 citations · 22 references
PharmacyMedicinal ChemistryPharmacologyComputational Medicinal ChemistryDrug DesignDrug DiscoveryEnzyme InhibitionLigand BindingMolecular DockingStructure-activity Relationship AnalysisCarbonic Anhydrase InhibitorsEnzyme Inhibitor Discovery
Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs.
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