ArticleJournal of enzyme inhibition and medicinal chemistry2017
Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations.
Article in Journal of enzyme inhibition and medicinal chemistry, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Repurposed ethoxzolamide reprograms antitumor immunity through β-TrCP-dependent PD-L1 ubiquitination.Cell reports. Medicine · 2026Article
- Steroidal A/B-ring fusion as a strategy for isoform-selective inhibition of human carbonic anhydrases.RSC advances · 2026Article
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- α-CAs from Photosynthetic Organisms.International journal of molecular sciences · 2022Review
- Biochemical profiling of anti-HIV prodrug Elsulfavirine (ElpidaJournal of enzyme inhibition and medicinal chemistry · 2021Article
- Synthesis of calix[4]azacrown substituted sulphonamides with antioxidant, acetylcholinesterase, butyrylcholinesterase, tyrosinase and carbonic anhydrase inhibitory action.Journal of enzyme inhibition and medicinal chemistry · 2020Article
- Design, synthesis,Journal of enzyme inhibition and medicinal chemistry · 2020Article
- Native mass spectrometry of human carbonic anhydrase I and its inhibitor complexes.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2020Article
- Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.Journal of medicinal chemistry · 2020Article
- Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.Journal of enzyme inhibition and medicinal chemistry · 2019Article
- Prostate cancer cells and exosomes in acidic condition show increased carbonic anhydrase IX expression and activity.Journal of enzyme inhibition and medicinal chemistry · 2019Article
- Fibrate-based N-acylsulphonamides targeting carbonic anhydrases: synthesis, biochemical evaluation, and docking studies.Journal of enzyme inhibition and medicinal chemistry · 2019Article
- The first activation study of the β-carbonic anhydrases from the pathogenic bacteriaJournal of enzyme inhibition and medicinal chemistry · 2019Article
- Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.Journal of enzyme inhibition and medicinal chemistry · 2018Article
- Discovery of novel 1,3-diaryltriazene sulfonamides as carbonic anhydrase I, II, VII, and IX inhibitors.Journal of enzyme inhibition and medicinal chemistry · 2018Article
- The first activation study of a δ-carbonic anhydrase: TweCAδ from the diatom Thalassiosira weissflogii is effectively activated by amines and amino acids.Journal of enzyme inhibition and medicinal chemistry · 2018Article
- Carbonic anhydrases from Trypanosoma cruzi and Leishmania donovani chagasi are inhibited by benzoxaboroles.Journal of enzyme inhibition and medicinal chemistry · 2018Article
- Benzamide-4-Sulfonamides Are Effective Human Carbonic Anhydrase I, II, VII, and IX Inhibitors.Metabolites · 2018Article
- Synthesis of Novel Selenides Bearing Benzenesulfonamide Moieties as Carbonic Anhydrase I, II, IV, VII, and IX Inhibitors.ACS medicinal chemistry letters · 2017Article
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7 authors.
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Abstract
Sulphamate and sulphamide derivatives have been largely investigated as carbonic anhydrase inhibitors (CAIs) by means of different experimental techniques. However, the structural determinants responsible for their different binding mode to the enzyme active site were not clearly defined so far. In this paper, we report the X-ray crystal structure of hCA II in complex with a sulphamate inhibitor incorporating a nitroimidazole moiety. The comparison with the structure of hCA II in complex with its sulphamide analogue revealed that the two inhibitors adopt a completely different binding mode within the hCA II active site. Starting from these results, we performed a theoretical study on sulphamate and sulphamide derivatives, demonstrating that electrostatic interactions with residues within the enzyme active site play a key role in determining their binding conformation. These findings open new perspectives in the design of effective CAIs using the sulphamate and sulphamide zinc binding groups as lead compounds.
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