Article
The Important Role of Halogen Bond in Substrate Selectivity of Enzymatic Catalysis.
Scientific reports - 6 Oct 2016
Jiang Shuiqin, Zhang Lujia, Cui Dongbin, Yao Zhiqiang, Gao Bei, Lin Jinping, Wei Dongzhi
Abstract excerpt
The use of halogen bond is widespread in drug discovery, design, and clinical trials, but is overlooked in drug biosynthesis. Here, the role of halogen bond in the nitrilase-catalyzed synthesis of ortho-, meta-, and para-chlorophenylacetic acid was investigated. Different distributions of halogen bond induced changes of substrate binding conformation and affected substrate selectivity. By engineering the halogen...
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