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Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures.
Lei Huang1, Jan Philipp Bittner2, Pablo Domínguez de María3
1Department of Engineering, Biocatalysis and Bioprocessing Group, Aarhus University, Gustav Wieds Vej 10, 8000, Aarhus, Denmark.
Alcohol dehydrogenase (ADH) activity in deep eutectic solvents (DESs) like glyceline depends on water content. Enzyme activity is low in glyceline/water mixtures due to high viscosity, with optimal conditions requiring further investigation.
Area of Science:
- Biocatalysis
- Enzyme Engineering
- Green Chemistry
Background:
- Oxidoreductases (EC1) are enzymes catalyzing redox reactions.
- Deep Eutectic Solvents (DESs) offer novel reaction media for biocatalysis.
- Alcohol dehydrogenase (ADH) is a key oxidoreductase.
Purpose of the Study:
- Investigate alcohol dehydrogenase (ADH) activity and stability in the DES glyceline.
- Determine the effect of varying water content on ADH performance in glyceline/water mixtures.
- Understand the molecular basis of ADH behavior in DESs.
Main Methods:
- Enzyme activity and stability assays in glyceline/water mixtures.
- Measurement of thermodynamic water activity (aW) and viscosity.
- Molecular dynamics (MD) simulations to analyze enzyme flexibility and hydration.
Main Results:
- ADH activity is observed only at higher water activities (>0.2) in glyceline/water mixtures.
- Enzyme activity in DESs is lower than in pure water, attributed to high viscosity.
- MD simulations revealed increased enzyme flexibility with higher water content.
Conclusions:
- The behavior of ADH in glyceline/water mixtures follows established trends for enzymes in non-conventional media.
- High viscosity of DESs significantly impacts enzyme activity.
- Water content plays a crucial role in modulating enzyme flexibility and activity in DESs.
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