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- W2323151247 abstract "The hydration of carbodiimide, isoelectronic with carbon dioxide, mediated by human carbonic anhydrase (EC 4.2.1.1) was studied at theoretical level in comparison with the native substrate. Quantum-mechanical (QM) and combined quantum-mechanics/molecular-mechanics (QM/MM) approaches indicate that human carbonic anhydrase is able to catalyze also the hydration of carbodiimide to urea with an energy barrier higher than that required by the native CO2. The rate-determining step for both substrates is represented by the nucleophilic addition to the double bond, showing the final product ureate more strongly anchored to the enzyme active site than the hydrogen carbonate. The reduced catalytic activity for the carbodiimide substrate can be ascribed not only to the highest barrier but also to the difficulty in releasing the product in favor of the water molecule, delaying the catalytic turnover as indicated by QM and QM/MM analyses." @default.
- W2323151247 created "2016-06-24" @default.
- W2323151247 creator A5027556367 @default.
- W2323151247 creator A5030230442 @default.
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- W2323151247 date "2014-03-17" @default.
- W2323151247 modified "2023-09-27" @default.
- W2323151247 title "Promiscuous Ability of Human Carbonic Anhydrase: QM and QM/MM Investigation of Carbon Dioxide and Carbodiimide Hydration" @default.
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- W2323151247 cites W2004565551 @default.
- W2323151247 cites W2008423326 @default.
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- W2323151247 doi "https://doi.org/10.1021/ic402932y" @default.
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