Mechanistic Explanation of the Weak Carbonic Anhydrase’s Esterase Activity

In order to elucidate the elementary mechanism of the promiscuous esterase activity of human carbonic anhydrase (h-CA), we present an accurate theoretical investigation on the hydrolysis of fully-acetylated d-glucose functionalized as sulfamate. This h-CA’s inhibitor is of potential relevance in can...

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Bibliographic Details
Main Authors: Paolo Piazzetta, Tiziana Marino, Nino Russo
Format: Article
Language:English
Published: MDPI AG 2017-06-01
Series:Molecules
Subjects:
DFT
Online Access:http://www.mdpi.com/1420-3049/22/6/1009