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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Vydáno v:J Enzyme Inhib Med Chem
Hlavní autoři: De Simone, Giuseppina, Langella, Emma, Esposito, Davide, Supuran, Claudiu T., Monti, Simona Maria, Winum, Jean-Yves, Alterio, Vincenzo
Médium: Artigo
Jazyk:Inglês
Vydáno: Taylor & Francis 2017
Témata:
Research Paper
On-line přístup: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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