Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

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  • Lei Huang
  • ,
  • Jan Philipp Bittner, Technische Universitat Hamburg
  • ,
  • Pablo Dominguez De Maria, Sustainable Momentum, Canary Islands
  • ,
  • Sven Jakobtorweihen, Technische Universitat Hamburg
  • ,
  • Selin Kara

The use of oxidoreductases (EC1) in non-conventional reaction media has been increasingly explored. In particular, deep eutectic solvents (DESs) have emerged as a novel class of solvents. Herein, an in-depth study of bioreduction with an alcohol dehydrogenase (ADH) in the DES glyceline is presented. The activity and stability of ADH in mixtures of glyceline/water with varying water contents were measured. Furthermore, the thermodynamic water activity and viscosity of mixtures of glyceline/water have been determined. For a better understanding of the observations, molecular dynamics simulations were performed to quantify the molecular flexibility, hydration layer, and intraprotein hydrogen bonds of ADH. The behavior of the enzyme in DESs follows the classic dependence of water activity (a(W)) in non-conventional media. At low a(W) values (

Sider (fra-til)811-817
Antal sider7
StatusUdgivet - mar. 2020

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