ArticleJournal of enzyme inhibition and medicinal chemistry2019
Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
Article in Journal of enzyme inhibition and medicinal chemistry, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Benzoxaboroles Are Inhibitors of the η-Class Carbonic Anhydrase From Plasmodium falciparum.Archiv der Pharmazie · 2026Article
- Trends on Potential Boron-containing Drugs by Advancements in Ligand-protein Crystals Complexes.Current medicinal chemistry · 2025Review
- Article
- α-CAs from Photosynthetic Organisms.International journal of molecular sciences · 2022Review
- Reconsidering anion inhibitors in the general context of drug design studies of modulators of activity of the classical enzyme carbonic anhydrase.Journal of enzyme inhibition and medicinal chemistry · 2021Review
- Intrinsically disordered features of carbonic anhydrase IX proteoglycan-like domain.Cellular and molecular life sciences : CMLS · 2021Review
- Novel sulphonamides incorporating triazene moieties show powerful carbonic anhydrase I and II inhibitory properties.Journal of enzyme inhibition and medicinal chemistry · 2020Article
- Benzoxaboroles: New Potent Inhibitors of the Carbonic Anhydrases of the Pathogenic BacteriumACS medicinal chemistry letters · 2020Article
- Review
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9 authors.
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Abstract
Recent studies identified the benzoxaborole moiety as a new zinc-binding group able to interact with carbonic anhydrase (CA) active site. Here, we report a structural analysis of benzoxaboroles containing urea/thiourea groups, showing that these molecules are very versatile since they can bind the enzyme assuming different binding conformations and coordination geometries of the catalytic zinc ion. In addition, theoretical calculations of binding free energy were performed highlighting the key role of specific residues for protein-inhibitor recognition. Overall, these data are very useful for the development of new inhibitors with higher selectivity and efficacy for various CAs.
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