Navigating the landscape of enzyme design: from molecular simulations to machine learning

J Zhou, M Huang - Chemical Society Reviews, 2024 - pubs.rsc.org
Global environmental issues and sustainable development call for new technologies for fine
chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the …

Hot spots-making directed evolution easier

H Yu, S Ma, Y Li, PA Dalby - Biotechnology Advances, 2022 - Elsevier
Directed evolution has emerged as a powerful strategy to engineer various properties of
proteins. Traditional methods to construct libraries such as error-prone PCR and DNA …

Flexibility regulation of loops surrounding the tunnel entrance in cytochrome P450 enhanced substrate access substantially

Z Li, S Meng, K Nie, U Schwaneberg, MD Davari… - ACS …, 2022 - ACS Publications
In recent years, the engineering of flexible loops to improve enzyme properties has gained
attention in biocatalysis. Herein, we report a loop engineering strategy to improve the …

Computer-aided tunnel engineering: a promising strategy for improving lipase applications in esterification reactions

W Chong, Y Qi, L Ji, Z Zhang, Z Lu, B Nian, Y Hu - ACS Catalysis, 2023 - ACS Publications
Esterification is one of the most important reactions in organic synthesis and industrial
applications. The applications of lipases in esterification are increasingly widespread and …

Efficient and feasible biocatalysts: Strategies for enzyme improvement. A review

SH Albayati, NG Nezhad, AG Taki… - International Journal of …, 2024 - Elsevier
Owing to the environmental friendliness and vast advantages that enzymes offer in the
biotechnology and industry fields, biocatalysts are a prolific investigation field. However, the …

The molecular basis and enzyme engineering strategies for improvement of coupling efficiency in cytochrome P450s

S Meng, Y Ji, LL Zhu, GV Dhoke, MD Davari… - Biotechnology …, 2022 - Elsevier
Cytochrome P450s are heme-thiolate enzymes that have been broadly applied in
pharmaceutical and biosynthesis because of their efficient oxidation at inert carbons …

Structure-guided engineering of a protease to improve its activity under cold conditions

F Wang, X Ma, Y Sun, E Guo, C Shi… - Journal of Agricultural …, 2023 - ACS Publications
Bacillus proteases commonly exhibit remarkably reduced activity under cold conditions.
Herein, we employed a tailored combination of a loop engineering strategy and iterative …

Insight into the broadened substrate scope of nitrile hydratase by static and dynamic structure analysis

D Ma, Z Cheng, L Peplowski, L Han, Y Xia, X Hou… - Chemical …, 2022 - pubs.rsc.org
The narrow substrate scope limits the wide industrial application of enzymes. Here, we
successfully broadened the substrate scope of a nitrile hydratase (NHase) through mutation …

Computationally guided bioengineering of the active site, substrate access pathway, and water channels of thermostable cytochrome P450, CYP175A1, for catalyzing …

M Taher, KD Dubey, S Mazumdar - Chemical Science, 2023 - pubs.rsc.org
Understanding structure–function relationships in proteins is pivotal in their development as
industrial biocatalysts. In this regard, rational engineering of protein active site access …

Optimization and engineering of fatty acid photodecarboxylase for substrate specificity

P Santner, LK Szabó, SN Chanquia, AH Merrild… - …, 2021 - Wiley Online Library
Fatty acid photodecarboxylase (FAP) is one of the few photoenzymes in nature. The ability of
FAP to convert fatty acids into alka (e) nes without the need for reducing equivalents put this …