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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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Pubblicato in:J Enzyme Inhib Med Chem
Autori principali: De Simone, Giuseppina, Langella, Emma, Esposito, Davide, Supuran, Claudiu T., Monti, Simona Maria, Winum, Jean-Yves, Alterio, Vincenzo
Natura: Artigo
Lingua:Inglês
Pubblicazione: Taylor & Francis 2017
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Accesso online: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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