Article
A catalytic mechanism for cysteine N-terminal nucleophile hydrolases, as revealed by free energy simulations.
PloS one - 1 Jan 2012
Lodola Alessio, Branduardi Davide, De Vivo Marco, Capoferri Luigi, Mor Marco, Piomelli Daniele, Cavalli Andrea
Abstract excerpt
The N-terminal nucleophile (Ntn) hydrolases are a superfamily of enzymes specialized in the hydrolytic cleavage of amide bonds. Even though several members of this family are emerging as innovative drug targets for cancer, inflammation, and pain, the processes through which they catalyze amide hydrolysis remains poorly understood. In particular, the catalytic reactions of cysteine Ntn-hydrolases have never been...
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