Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity

• Päätekijät: Emma Langella (Tekijä), Vincenzo Alterio (Tekijä), Katia D'Ambrosio (Tekijä), Roberta Cadoni (Tekijä), Jean-Yves Winum (Tekijä), Claudiu T. Supuran (Tekijä), Simona Maria Monti (Tekijä), Giuseppina De Simone (Tekijä), Anna Di Fiore (Tekijä)
• Aineistotyyppi: Kirja
• Julkaistu: Taylor & Francis Group, 2019-01-01T00:00:00Z.
• Aiheet: article
• Linkit: Connect to this object online.

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 e...