Rationally design and chemical modification: Getting a new and efficient biocatalyst for Henry reaction,Enzyme and Microbial Technology

当前位置： X-MOL 学术 › Enzyme Microb. Technol. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Rationally design and chemical modification: Getting a new and efficient biocatalyst for Henry reaction
Enzyme and Microbial Technology ( IF 3.4 ) Pub Date : 2020-12-01 , DOI: 10.1016/j.enzmictec.2020.109695
Zhonglang Yu ₁ , Qian Zhang ₁ , Haibin Tang ₁ , Gang Xu ₁

Affiliation

A robust biocatalyst for green Henry reaction was achieved. Based on the fact that Henry reaction requires a base for proton transfer, we firstly proposed that the catalytic triad of lipase could play this role. The distance between the substrate and the catalytic center and the surrounding amino acid interaction network were used as the criterion. Benzaldehyde and nitromethane were used as the model reaction, RNL (Lipase from Rhizopus niveus) was considered to be the best Henry reaction catalyst via a molecular dynamics simulation. Then experiments demonstrated that RNL has a yield of 48 % using model substrate in water. Further, in order to increase product yield, the chemical modifier 1, 2-cyclohexanedione (CHD) was used to modify Arg on RNL. As a result, RNL (CHD) increased the activity of catalyzing Henry reaction and had a broad spectrum of substrates, the yield of the product was as high as 67-99 %.

中文翻译：

合理设计与化学改性：获得一种新型高效的亨利反应生物催化剂

实现了绿色亨利反应的强大生物催化剂。基于亨利反应需要质子转移的基础这一事实，我们首先提出脂肪酶的催化三联体可以发挥这种作用。底物与催化中心之间的距离以及周围的氨基酸相互作用网络被用作标准。苯甲醛和硝基甲烷被用作模型反应，通过分子动力学模拟，RNL（来自Rhizopus niveus的脂肪酶）被认为是最好的Henry反应催化剂。然后实验证明，使用水中的模型底物，RNL 的产率为 48%。此外，为了提高产品收率，使用化学改性剂 1, 2-环己二酮 (CHD) 对 RNL 上的 Arg 进行改性。因此，

更新日期：2020-12-01

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11