Gu, Jiali’s team published research in Applied Microbiology and Biotechnology in 2015-02-28 | CAS: 32345-60-1

Applied Microbiology and Biotechnology published new progress about Enzyme functional sites, active. 32345-60-1 belongs to class chlorides-buliding-blocks, name is (S)-Methyl 2-(2-chlorophenyl)-2-hydroxyacetate, and the molecular formula is C9H9ClO3, COA of Formula: C9H9ClO3.

Gu, Jiali published the artcileRational design of esterase BioH with enhanced enantioselectivity towards methyl (S)-o-chloromandelate, COA of Formula: C9H9ClO3, the main research area is rational design esterase BioH enantioselectivity methyl chloromandelate.

Me (R)-o-chloromandelate (R-CMM) is an intermediate for the platelet aggregation inhibitor clopidogrel. Its preparation through enzymic resolution of the corresponding ester has been hindered by the lack of an enzyme with satisfying enantioselectivity and activity. In the present work, we aimed to improve the enzymic enantioselectivity towards Me (S)-o-chloromandelate (S-CMM) by rational design, using esterase BioH as a model enzyme. Based on the differences in the binding mode of S- and R-enantiomers at the active cavity of the enzyme, the steric and electronic interactions between the key amino acids of BioH and the enantiomers were finely tuned. The enantioselectivity of esterase BioH towards S-CMM was improved from 3.3 (the wild type) to 73.4 (L123V/L181A/L207F). Synergistic interaction was observed between point mutations, and insight into the source of enzymic enantioselectivity was gained by mol. dynamics simulations. The results can provide a reference for the enzyme design of other enzymes towards S-CMM for the enhancement of enantioselectivity.

Applied Microbiology and Biotechnology published new progress about Enzyme functional sites, active. 32345-60-1 belongs to class chlorides-buliding-blocks, name is (S)-Methyl 2-(2-chlorophenyl)-2-hydroxyacetate, and the molecular formula is C9H9ClO3, COA of Formula: C9H9ClO3.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics