Rational design of enzyme activity and enantioselectivity
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 …
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 …
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 …
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
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 …
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 …
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
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 …
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 …
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 …
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 …
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
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 …
irreversible modification of active site, is a major challenge in the efficient production of β …