Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations

• Main Authors: Giuseppina De Simone (Author), Emma Langella (Author), Davide Esposito (Author), Claudiu T. Supuran (Author), Simona Maria Monti (Author), Jean-Yves Winum (Author), Vincenzo Alterio (Author)
• Format: Book
• Published: Taylor & Francis Group, 2017-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...