Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

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....

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Bibliographic Details
Published in:ChemBioChem
Main Authors: Huang, Lei, Bittner, Jan Philipp, Dominguez De Maria, Pablo, Jakobtorweihen, Sven, Kara, Selin
Format: Article in Journal/Newspaper
Language:English
Published: 2020
Subjects:
alcohol dehydrogenase
deep eutectic solvents
molecular dynamics
solvent effects
thermodynamics
WATER ACTIVITY
PROTEIN
ONE-POT SYNTHESIS
BIOTRANSFORMATIONS
STABILITY
ANTARCTICA LIPASE B
CHOLINE CHLORIDE
DYNAMICS
WHOLE-CELL BIOCATALYSIS
INSIGHTS
Antarc*
Antarctica
Online Access:https://pure.au.dk/portal/da/publications/modeling-alcohol-dehydrogenase-catalysis-in-deep-eutectic-solventwater-mixtures(30d68c24-6a9a-4d43-8afb-77af18e16a73).html
https://doi.org/10.1002/cbic.201900624
https://pure.au.dk/ws/files/220284543/cbic.201900624.pdf
https://onlinelibrary.wiley.com/doi/epdf/10.1002/cbic.201900624
Description
Summary: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 (

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