立体选择性
苯甲醛
分子内力
化学
立体化学
酶
催化作用
酶催化
有机化学
组合化学
作者
Xiaoyang Chen,Zhiguo Wang,Yujiao Lou,Yongzhen Peng,Qiaoyan Zhu,Jian Xu,Qi Wu
标识
DOI:10.1002/anie.202100534
摘要
Abstract The reliable design and prediction of enzyme promiscuity to access transformations not observed in nature remains a long‐standing challenge. Herein, we present the first example of an intramolecular stereoselective Stetter reaction catalyzed by benzaldehyde lyase, guided by the rational structure screening of various ThDP‐dependent enzymes using molecular dynamics (MD) simulations. After optimization, high productivity (up to 99 %) and stereoselectivity (up to 99:1 e.r.) for this novel enzyme function was achieved.
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