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

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...

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Detalhes bibliográficos
Publicado no:J Enzyme Inhib Med Chem
Main Authors: De Simone, Giuseppina, Langella, Emma, Esposito, Davide, Supuran, Claudiu T., Monti, Simona Maria, Winum, Jean-Yves, Alterio, Vincenzo
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2017
Assuntos:
Research Paper
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6445192/
https://ncbi.nlm.nih.gov/pubmed/28738704
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/14756366.2017.1349764
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