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Predicting the Reactivity of Nitrile-Carrying Compounds with Cysteine: A Combined Computational and Experimental Study

[Image: see text] Here, we report on a mechanistic investigation based on DFT calculations and kinetic measures aimed at determining the energetics related to the cysteine nucleophilic attack on nitrile-carrying compounds. Activation energies were found to correlate well with experimental kinetic me...

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Κύριοι συγγραφείς: Berteotti, Anna, Vacondio, Federica, Lodola, Alessio, Bassi, Michele, Silva, Claudia, Mor, Marco, Cavalli, Andrea
Μορφή: Artigo
Γλώσσα:Inglês
Έκδοση: American Chemical Society 2014
Διαθέσιμο Online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4027605/
https://ncbi.nlm.nih.gov/pubmed/24900869
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ml400489b
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