Title : Catalytic Hydrolysis Mechanism of Cocaine by Human Carboxylesterase 1: An Orthoester Intermediate Slows Down the Reaction.

Pub. Date : 2019 Nov 9

PMID : 31717501






3 Functional Relationships(s)
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1 Catalytic Hydrolysis Mechanism of Cocaine by Human Carboxylesterase 1: An Orthoester Intermediate Slows Down the Reaction. Cocaine carboxylesterase 1 Homo sapiens
2 In this work, we studied the catalytic hydrolysis mechanism of hCES1 by the quantum mechanics computation method, using cocaine as a model substrate. Cocaine carboxylesterase 1 Homo sapiens
3 Moreover, orthoester intermediates were found in hCES1-catalyzed cocaine hydrolysis reaction, which significantly elevate the free energy barrier and slow down the reaction. Cocaine carboxylesterase 1 Homo sapiens