Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

• DOI: 10.1002/cbic.201900624
• Publication Date: 2019-10-12T18:18:29Z
• Authors: Lei Huang; Jan Philipp Bittner; Pablo Domínguez d...; Sven Jakobtorweihen; Selin Kara
• Keywords: Deep eutectic solvent; Enzyme Catalysis

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 solvents. Herein, an in-depth study bioreduction with alcohol dehydrogenase (ADH) the DES glyceline is presented. activity and stability ADH mixtures glyceline/water varying water contents were measured. Furthermore, thermodynamic viscosity determined. For better understanding observations, molecular dynamics simulations performed to quantify flexibility, hydration layer, intraprotein hydrogen bonds ADH. behavior enzyme DESs follows classic dependence (aW ) media. At low aW values (<0.2), does not show any activity; at higher values, was still lower than that pure due high viscosities DES. These findings could be further explained by increased flexibility increasing content.