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

• Main Authors: Emma Langella (Author), Vincenzo Alterio (Author), Katia D'Ambrosio (Author), Roberta Cadoni (Author), Jean-Yves Winum (Author), Claudiu T. Supuran (Author), Simona Maria Monti (Author), Giuseppina De Simone (Author), Anna Di Fiore (Author)
• Format: Book
• Published: Taylor & Francis Group, 2019-01-01T00:00:00Z.
• Subjects: article
• Online Access: 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...