Computer-aided understanding and engineering of enzymatic selectivity

L Wu, L Qin, Y Nie, Y Xu, YL Zhao - Biotechnology Advances, 2022 - Elsevier
Abstract Enzymes offering chemo-, regio-, and stereoselectivity enable the asymmetric
synthesis of high-value chiral molecules. Unfortunately, the drawback that naturally …

Recent advances and promises in nitrile hydratase: from mechanism to industrial applications

Z Cheng, Y Xia, Z Zhou - Frontiers in bioengineering and …, 2020 - frontiersin.org
Nitrile hydratase (NHase, EC 4.2. 1.84) is one type of metalloenzyme participating in the
biotransformation of nitriles into amides. Given its catalytic specificity in amide production …

HotSpot Wizard 3.0: web server for automated design of mutations and smart libraries based on sequence input information

L Sumbalova, J Stourac, T Martinek… - Nucleic Acids …, 2018 - academic.oup.com
HotSpot Wizard is a web server used for the automated identification of hotspots in semi-
rational protein design to give improved protein stability, catalytic activity, substrate …

Engineering Saccharomyces cerevisiae for high yield production of α-amyrin via synergistic remodeling of α-amyrin synthase and expanding the storage pool

Y Yu, A Rasool, H Liu, B Lv, P Chang, H Song… - Metabolic …, 2020 - Elsevier
Abstract α-Amyrin is a plant-originated high-valued triterpene that is highly effective against
several pathological ailments. α-Amyrin production by engineered Saccharomyces …

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 …

“Toolbox” construction of an extremophilic nitrile hydratase from Streptomyces thermoautotrophicus for the promising industrial production of various amides

J Guo, J Berdychowska, Q Lai, Y Meng, Z Cheng… - International Journal of …, 2022 - Elsevier
Abstract Nitrile hydratase (NHase; EC 4.2. 1.84) is widely used to synthesize the
corresponding amides from nitriles, which is the most successful green biocatalyst …

[HTML][HTML] Structure-oriented engineering of nitrile hydratase: Reshaping of substrate access tunnel and binding pocket for efficient synthesis of cinnamamide

D Ma, Z Cheng, L Han, J Guo, L Peplowski… - International Journal of …, 2024 - Elsevier
Cinnamamide and its derivatives are the most common and important building blocks widely
present in natural products. Currently, nitrile hydratase (NHase, EC 4.2. 1.84) has been …

Programing a cyanide-free transformation of aldehydes to nitriles and one-pot synthesis of amides through tandem chemo-enzymatic cascades

H Zheng, Q Xiao, F Mao, A Wang, M Li, Q Wang… - RSC …, 2022 - pubs.rsc.org
Nitriles are broadly applied to synthesize pharmaceuticals, agrochemicals, and materials
because of their versatile transformation. Although various methods have been developed …

Computational Design of Nitrile Hydratase from Pseudonocardia thermophila JCM3095 for Improved Thermostability

Z Cheng, Y Lan, J Guo, D Ma, S Jiang, Q Lai, Z Zhou… - Molecules, 2020 - mdpi.com
High thermostability and catalytic activity are key properties for nitrile hydratase (NHase, EC
4.2. 1.84) as a well-industrialized catalyst. In this study, rational design was applied to tailor …

Substrate access tunnel engineering for improving the catalytic activity of a thermophilic nitrile hydratase toward pyridine and pyrazine nitriles

Z Cheng, S Jiang, Z Zhou - Biochemical and Biophysical Research …, 2021 - Elsevier
Nitrile hydratase (NHase) is able to bio-transform nitriles into amides. As nitrile hydration
being an exothermic reaction, a NHase with high activity and stability is needed for amide …