N-aryl-N'-ureido-O-sulfamates as potent and selective inhibitors of hCA VB over hCA VA: Deciphering the binding mode of new potential agents in mitochondrial dysfunctions.

Giulio Poli,Murat Bozdag,Emanuela Berrino,Andrea Angeli,Tiziano Tuccinardi,Fabrizio Carta,Claudiu T Supuran

Bioorganic Chemistry（2020）

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摘要

•N-aryl-N′-ureido-O-sulfamates (AUSs) were investigated as hCA VA and VB inhibitors.•High selectivity against hCA VB over VA was observed for all the compounds.•AUSs resulted to contain privileged chemical fragments for hCA VB selective inhibition.•Molecular modeling showed the different binding modes within the two isoforms.

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关键词

Carbonic anhydrase,Carbonic anhydrase inhibitors,Mitochondrial CAs,N-Aryl-N′-ureido-O-sulfamates,Selectivity,Obesity,Mitochondrial dynamics

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