Abstract
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.
MeSH terms
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Antigens, Neoplasm / chemistry
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Binding Sites
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Carbonic Anhydrase I / antagonists & inhibitors
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Carbonic Anhydrase I / chemistry
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Carbonic Anhydrase II / antagonists & inhibitors
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Carbonic Anhydrase II / chemistry
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Carbonic Anhydrase IX / antagonists & inhibitors
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Carbonic Anhydrase IX / chemistry
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Carbonic Anhydrase Inhibitors / chemical synthesis
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Carbonic Anhydrase Inhibitors / chemistry*
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Carbonic Anhydrases / chemistry
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Humans
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Isoenzymes / antagonists & inhibitors*
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Isoenzymes / chemistry
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Molecular Docking Simulation
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Molecular Structure
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Organoselenium Compounds / chemical synthesis
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Organoselenium Compounds / chemistry*
Substances
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Antigens, Neoplasm
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Carbonic Anhydrase Inhibitors
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Isoenzymes
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Organoselenium Compounds
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Carbonic Anhydrase I
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Carbonic Anhydrase II
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CA1 carbonic anhydrase, human
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CA9 protein, human
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Carbonic Anhydrase IX
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Carbonic Anhydrases
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carbonic anhydrase VI