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Intramolecular Stereoselective Stetter Reaction Catalyzed by Benzaldehyde Lyase
Author(s) -
Chen Xiaoyang,
Wang Zhiguo,
Lou Yujiao,
Peng Yongzhen,
Zhu Qiaoyan,
Xu Jian,
Wu Qi
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202100534
Subject(s) - stereoselectivity , benzaldehyde , intramolecular force , chemistry , enzyme , stereochemistry , enzyme catalysis , catalysis , combinatorial chemistry , organic chemistry
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.