Abstract
In this paper we report the synthesis of a series of benzoxaborole derivatives, their inhibition properties against some carbonic anhydrases (CAs), recognized as important drug targets, and the characterization of the binding mode of these molecules to the CA active site. Our data provide the first experimental evidence that benzoxaboroles can be efficiently used as CA inhibitors.
MeSH terms
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Binding Sites
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Carbonic Anhydrase Inhibitors / chemistry
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Carbonic Anhydrase Inhibitors / metabolism*
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Carbonic Anhydrases / chemistry
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Carbonic Anhydrases / metabolism*
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Catalytic Domain
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Crystallography, X-Ray
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Humans
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Isoenzymes / antagonists & inhibitors
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Isoenzymes / metabolism
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Molecular Dynamics Simulation
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Protein Binding
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Structure-Activity Relationship
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Sulfonamides / chemistry
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Sulfonamides / metabolism
Substances
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Carbonic Anhydrase Inhibitors
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Isoenzymes
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Sulfonamides
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Carbonic Anhydrases