Role of conformational dynamics in the evolution of novel enzyme function

MA Maria-Solano, E Serrano-Hervás… - Chemical …, 2018 - pubs.rsc.org
The free energy landscape concept that describes enzymes as an ensemble of differently
populated conformational sub-states in dynamic equilibrium is key for evaluating enzyme …

Modeling enzymatic enantioselectivity using quantum chemical methodology

X Sheng, M Kazemi, F Planas, F Himo - ACS Catalysis, 2020 - ACS Publications
The computational study of enantioselective reactions is a challenging task that requires
high accuracy, as very small energy differences have to be reproduced. Quantum chemical …

Structural insight into enantioselective inversion of an alcohol dehydrogenase reveals a “polar gate” in stereorecognition of diaryl ketones

J Zhou, Y Wang, G Xu, L Wu, R Han… - Journal of the …, 2018 - ACS Publications
Diaryl ketones are important building blocks for synthesizing pharmaceuticals and are
generally regarded as “difficult-to-reduce” ketones due to the large steric hindrance of their …

Active and stable alcohol dehydrogenase-assembled hydrogels via synergistic bridging of triazoles and metal ions

Q Chen, G Qu, X Li, M Feng, F Yang, Y Li, J Li… - Nature …, 2023 - nature.com
Biocatalysis is increasingly replacing traditional methods of manufacturing fine chemicals
due to its green, mild, and highly selective nature, but biocatalysts, such as enzymes, are …

Stereochemistry in asymmetric reduction of bulky–bulky ketones by alcohol dehydrogenases

J Zhou, G Xu, Y Ni - ACS Catalysis, 2020 - ACS Publications
Biocatalyzed asymmetric reduction of ketones is one of the most cost-effective and
environmentally friendly approaches for preparing chiral alcohols. However, few natural …

Secondary Alcohol Dehydrogenases from Thermoanaerobacter pseudoethanolicus and Thermoanaerobacter brockii as Robust Catalysts

MM Musa, C Vieille, RS Phillips - ChemBioChem, 2021 - Wiley Online Library
Alcohol dehydrogenases (ADHs) are an important type of enzyme that have significant
applications as biocatalysts. Secondary ADHs from Thermoanaerobacter …

Conformational dynamics‐guided loop engineering of an alcohol dehydrogenase: capture, turnover and enantioselective transformation of difficult‐to‐reduce ketones

B Liu, G Qu, JK Li, W Fan, JA Ma, Y Xu… - … Synthesis & Catalysis, 2019 - Wiley Online Library
Directed evolution of enzymes for the asymmetric reduction of prochiral ketones to produce
enantio‐pure secondary alcohols is particularly attractive in organic synthesis. Loops …

Development of a novel magnetic metal-organic framework for the immobilization of short-chain dehydrogenase for the asymmetric reduction of pro-chiral ketone

X Hu, W Liu, Y Yan, H Deng, Y Cai - International Journal of Biological …, 2023 - Elsevier
Short-chain dehydrogenase/reductase (SDR) acts as a biocatalyst in the synthesis of chiral
alcohols with high optical purity. Herein, we achieved immobilization via crosslinking on …

Recycling of Cofactors in Crude Enzyme Hydrogels as Co‐immobilized Heterogeneous Biocatalysts for Continuous‐Flow Asymmetric Reduction of Ketones

Q Chen, Y Wang, G Luo - ChemSusChem, 2023 - Wiley Online Library
Flow biocatalysis involving oxidoreductase is limited by the difficulty in recycling expensive
cofactors. In this study, an enzyme‐rich hydrogel monolithic microreactor was developed via …

Exploring the reversal of enantioselectivity on a zinc-dependent alcohol dehydrogenase

MA Maria-Solano, A Romero-Rivera… - Organic & Biomolecular …, 2017 - pubs.rsc.org
Alcohol Dehydrogenase (ADH) enzymes catalyse the reversible reduction of prochiral
ketones to the corresponding alcohols. These enzymes present two differently shaped active …