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Computational Design of Enantiocomplementary Epoxide Hydrolases for Asymmetric Synthesis of Aliphatic and Aromatic Diols.
ChemBioChem ( IF 3.2 ) Pub Date : 2020-01-21 , DOI: 10.1002/cbic.201900726
Hesam Arabnejad 1 , Elvira Bombino 1 , Dana I Colpa 1 , Peter A Jekel 1 , Milos Trajkovic 1 , Hein J Wijma 1 , Dick B Janssen 1
Affiliation  

Overcoming bottlenecks : This paper describes the use of computational design to obtain limonene epoxide hydrolase variants that show regioselective attack of water and thereby form enantiomeric diols from meso ‐epoxides. Most of the 28 designs that were examined in the laboratory carried multiple mutations, retained stability, and gave diols with the predicted chirality.
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中文翻译:

不对称合成脂肪族和芳香族二醇的对映体互补环氧水解酶的计算设计。

克服瓶颈:本文介绍了如何使用计算设计来获得柠檬烯环氧化物水解酶变体,该变体表现出对水的区域选择性攻击,从而由内消旋环氧化物形成对映体二醇。在实验室检查的28种设计中,大多数带有多个突变,保留了稳定性,并得到了具有预期手性的二醇。
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更新日期:2020-01-21
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