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Updated: Jan 20, 2026
Heterogeneous Catalytic Reactor and Hydrogenation of Ethylene
Published on: April 30, 2023
The Catalytic Mechanism of Human Transketolase
Mario Prejanò1, Fabiola Estefany Medina2, Pedro Alexandrino Fernandes2
1Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, Via Ponte Pietro Bucci, 87036, Arcavacata di Rende (CS), Italy.
Abstract:
We have computationally determined the catalytic mechanism of human transketolase (hTK) using a cluster model approach and density functional theory calculations. We were able to determine all the relevant structures, bringing solid evidences to the proposed experimental mechanism, and to add important detail to the structure of the transition states and the energy profile associated with catalysis. Furthermore, we have established the existence of a crucial intermediate of the catalytic cycle, in agreement with experiments. The calculated data brought new insights to hTK's catalytic mechanism, providing free-energy values for the chemical reaction, as well as adding atomistic detail to the experimental mechanism.
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