Abstract
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 (<0.2), ADH does not show any activity; at higher a W values, the activity was still lower than that in pure water due to the high viscosities of the DES. These findings could be further explained by increased enzyme flexibility with increasing water content.
Highlights
Oxidoreductases (EC1) are the most commonly applied biocatalysts, following hydrolases (EC3), for the synthesis of active pharmaceutical intermediates (APIs) and fine chemicals on both academic and industrial scales.[1]
Supporting information and the ORCID identification numbers for the authors of this article can be found under https://doi.org/10.1002/ cbic.201900624. 2019 The Authors
This article is part of a joint Special Collection dedicated to the Biotrans 2019 symposium
Summary
[+] These authors contributed to this work. Supporting information and the ORCID identification numbers for the authors of this article can be found under https://doi.org/10.1002/ cbic.201900624. 2019 The Authors. Glyceline is one of the most successfully applied DESs for biocatalysis.[6b,8a,9c,10,12a,17] MD simulations focus on the quantitative analysis of protein flexibility and hydration level, whereby the results from enzymatic activity and stability are correlated and explained
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