Rational design of enzyme activity and enantioselectivity

Z Song, Q Zhang, W Wu, Z Pu, H Yu - Frontiers in Bioengineering and …, 2023 - frontiersin.org
The strategy of rational design to engineer enzymes is to predict the potential mutants based
on the understanding of the relationships between protein structure and function, and …

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 …

Structure-oriented engineering of amidase: modification of twisted access tunnel for efficient synthesis of 2-chloronicotinic acid

ZM Wu, F **e, W Zheng, CF Liu, CP Lin, RC Zheng… - ACS …, 2023 - ACS Publications
Amidases are robust biocatalysts for the industrial synthesis of carboxylic acids. Amidase-
catalyzed hydrolysis of 2-chloronicotinamide is regarded as a promising route for 2 …

Application of molecular dynamics simulation in the field of food enzymes: Improving the thermal-stability and catalytic ability

Z Huang, D Ni, Z Chen, Y Zhu, W Zhang… - Critical Reviews in Food …, 2024 - Taylor & Francis
Enzymes can produce high-quality food with low pollution, high function, high acceptability,
and medical aid. However, most enzymes, in their native form, do not meet the industrial …

Artificial intelligence aided lipase production and engineering for enzymatic performance improvement

F Ge, G Chen, M Qian, C Xu, J Liu, J Cao… - Journal of Agricultural …, 2023 - ACS Publications
With the development of artificial intelligence (AI), tailoring methods for enzyme engineering
have been widely expanded. Additional protocols based on optimized network models have …

Open Gate of Corynebacterium glutamicum Threonine Deaminase for Efficient Synthesis of Bulky α-Keto Acids

W Song, X Xu, C Gao, Y Zhang, J Wu, J Liu… - ACS …, 2020 - ACS Publications
Threonine deaminase (TD, EC 4.3. 1.19) mediates α, β-elimination (deamination), which has
untapped potential in the synthesis of unnatural α-keto acids. However, the narrow substrate …

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 …

Modification of the 4-hydroxyphenylacetate-3-hydroxylase substrate pocket to increase activity towards resveratrol

Q Zhang, Y **, K Yang, S Hu, C Lv, J Huang, J Mei… - Molecules, 2023 - mdpi.com
4-Hydroxyphenylacetate-3-hydroxylase (4HPA3H; EC 1.14. 14.9) is a heterodimeric flavin-
dependent monooxygenase complex that catalyzes the ortho-hydroxylation of resveratrol to …

The molecular basis for lipase stereoselectivity

H Chen, X Meng, X Xu, W Liu, S Li - Applied microbiology and …, 2018 - Springer
Lipases are among the most applied biocatalysts in organic synthesis to catalyze the kinetic
resolution of a wide range of racemic substrates to yield optically pure compounds. Due to …

Engineering protonation conformation of l‐aspartate‐α‐decarboxylase to relieve mechanism‐based inactivation

Y Qian, C Lu, J Liu, W Song, X Chen… - Biotechnology and …, 2020 - Wiley Online Library
Mechanism‐based inactivation of l‐aspartate‐α‐decarboxylase (PanD), which leads to
irreversible modification of active site, is a major challenge in the efficient production of β …