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September 10, 2025Journal of Agricultural and Food Chemistry

Enhancing Alcohol Dehydrogenase Activity for the Efficient Synthesis of (S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol Using Computer-Aided Combinational Mutagenesis

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Authors

WYWenjie YeJXJingwen XieWGWeijie Gao

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Overview

This research demonstrates enhanced catalytic efficiency in Lactobacillus kefir alcohol dehydrogenase, indicating promising methods for chiral precursor synthesis.

Key Points

  • The final mutant LkADHM3 showed a 29.1-fold increase in catalytic efficiency compared to the original LkADHM0.
  • Molecular dynamics simulations revealed that LkADHM3 stabilized the substrate, allowing for high yields in the synthesis process.
  • The use of virtual saturation mutagenesis facilitated the identification of beneficial mutations in the alcohol dehydrogenase enzyme.
  • Libraries generated from poorly conserved active sites yielded four promising candidates for experimental validation.

Cite This Study

Ye et al. (2025) studied this question.

synapsesocial.com/papers/68c1d5e554b1d3bfb60f8663https://doi.org/10.1021/acs.jafc.5c00174
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