In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering DOI Creative Commons
Yvett Sosa, B.M. Kapur,

Jessica Hurtak

и другие.

Frontiers in Chemical Biology, Год журнала: 2024, Номер 3

Опубликована: Июль 23, 2024

Introduction: Biocatalysis, particularly through engineered enzymes, presents a cost-effective, efficient, and eco-friendly approach to compound synthesis. We sought identify ketoreductases capable of synthesizing optically pure alcohols or ketones, essential chiral building blocks for active pharmaceutical ingredients. Methods: Using BioMatchMaker®, an in silico high-throughput platform that allows the identification wild-type enzyme sequences desired chemical transformation, we identified bacterial SDR ketoreductase from Thermus caliditerrae, Tcalid SDR, demonstrates favorable reaction efficiency enantiomeric excess. Results: Here present two crystal structures apo-form at 1.9 Å NADP-complexed form 1.7 resolution (9FE6 9FEB, respectively). This forms homotetramer with each subunit containing N-terminal Rossmann-fold domain. use computational analysis combined site-directed mutagenesis enzymatic characterization define substrate-binding pocket. Furthermore, retained reactivity selectivity after incubation elevated temperature. Conclusion: The enantioselectivity thermostability makes this attractive engineering starting point biocatalysis applications.

Язык: Английский

Green chemistry and biocatalysis: Engineering a sustainable future DOI
Roger A. Sheldon

Catalysis Today, Год журнала: 2024, Номер 431, С. 114571 - 114571

Опубликована: Фев. 17, 2024

Язык: Английский

Процитировано

15

Precision Engineering of the Co‐immobilization of Enzymes for Cascade Biocatalysis DOI

Zhiyuan Luo,

Li Qiao, Haomin Chen

и другие.

Angewandte Chemie International Edition, Год журнала: 2024, Номер 63(22)

Опубликована: Апрель 1, 2024

Abstract The design and orderly layered co‐immobilization of multiple enzymes on resin particles remain challenging. In this study, the SpyTag/SpyCatcher binding pair was fused to N‐terminus an alcohol dehydrogenase (ADH) aldo‐keto reductase (AKR), respectively. A non‐canonical amino acid (ncAA), p ‐azido‐L‐phenylalanine (p‐AzF), as anchor for covalent bonding enzymes, genetically inserted into preselected sites in AKR ADH. Employing two bioorthogonal counterparts azide–alkyne cycloaddition immobilization ADH enabled sequential dual‐enzyme coating porous microspheres. ordered reactor subsequently used synthesize ( S )‐1‐(2‐chlorophenyl)ethanol asymmetrically from corresponding prochiral ketone, enabling situ regeneration NADPH. exhibited a high catalytic conversion 74 % good reproducibility, retaining 80 its initial activity after six cycles. product had 99.9 ee, which that maintained each cycle. Additionally, double‐layer method significantly increased enzyme loading capacity, approximately 1.7 times greater than traditional single‐layer immobilization. More importantly, it simultaneously both purification carriers, thus providing convenient approach facilitate cascade biocatalysis.

Язык: Английский

Процитировано

13

Multidisciplinary approaches for enzyme biocatalysis in pharmaceuticals: protein engineering, computational biology, and nanoarchitectonics DOI Creative Commons
Suhyeon Kim,

Seongmin Ga,

Hayeon Bae

и другие.

EES Catalysis, Год журнала: 2023, Номер 2(1), С. 14 - 48

Опубликована: Окт. 28, 2023

This article reviews the integration of multidisciplinary approaches, including protein engineering, computational biology, and nanoarchitectonics, to advance pharmaceutical enzyme biocatalysis.

Язык: Английский

Процитировано

18

Engineered ketoreductase-catalyzed stereoselective reduction of ethyl 2′-ketopantothenate and its analogues: chemoenzymatic synthesis of d-pantothenic acid DOI
Pan Hu,

Xiaofan Wu,

Yajiao Zhang

и другие.

Green Chemistry, Год журнала: 2024, Номер 26(4), С. 2124 - 2134

Опубликована: Янв. 1, 2024

An asymmetric sustainable route to d -pantothenic acid was developed, centering on the reduction of ethyl 2′-ketopantothenate ( R )-pantothenate, enabled by an E. coli strain co-expressing engineered ketoreductase and glucose dehydrogenase.

Язык: Английский

Процитировано

8

Classification and functional origins of stereocomplementary alcohol dehydrogenases for asymmetric synthesis of chiral secondary alcohols: A review DOI
Lu Zhang,

Zewen Sun,

Guochao Xu

и другие.

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 270, С. 132238 - 132238

Опубликована: Май 9, 2024

Язык: Английский

Процитировано

7

Novel alcohol dehydrogenase activation by the choline component of Deep eutectic solvents DOI
Ebin K. Baby, Rangasamy Savitha, Gemma K. Kinsella

и другие.

Journal of Molecular Liquids, Год журнала: 2025, Номер unknown, С. 127025 - 127025

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

1

Extensive gene mining and facile engineering of a novel carbonyl reductase for asymmetric synthesis of anti-aging (S)-Pro-Xylane from d-xylose DOI
Zhe Dou,

Penghui Hu,

Linlin Song

и другие.

International Journal of Biological Macromolecules, Год журнала: 2025, Номер unknown, С. 140976 - 140976

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

1

Microbial alcohol dehydrogenases: recent developments and applications in asymmetric synthesis DOI
Anju Chadha, Santosh Kumar Padhi,

S. Stella

и другие.

Organic & Biomolecular Chemistry, Год журнала: 2023, Номер 22(2), С. 228 - 251

Опубликована: Дек. 5, 2023

In this review article, recent developments and applications of microbial alcohol dehydrogenases are summarized by emphasizing notable examples.

Язык: Английский

Процитировано

17

Redox Out of the Box: Catalytic Versatility Across NAD(P)H‐Dependent Oxidoreductases DOI Creative Commons
Sebastian Roth,

Richard Niese,

Michael Müller

и другие.

Angewandte Chemie International Edition, Год журнала: 2023, Номер 63(13)

Опубликована: Ноя. 4, 2023

The asymmetric reduction of double bonds using NAD(P)H-dependent oxidoreductases has proven to be an efficient tool for the synthesis important chiral molecules in research and on industrial scale. These enzymes are commercially available screening kits C=O (ketones), C=C (activated alkenes), or C=N (imines). Recent reports, however, indicate that ability accommodate multiple reductase activities distinct C=X occurs different enzyme classes, either natively after mutagenesis. This challenges common perception highly selective one type electrophilic substrate. Consideration this underexplored potential screenings protein engineering campaigns may contribute identification complementary biocatalytic processes compounds. review will a global understanding promiscuous behavior bond inspire future discoveries with respect unconventional routes synthesis.

Язык: Английский

Процитировано

16

Waste Valorization in a Sustainable Bio‐Based Economy: The Road to Carbon Neutrality DOI Creative Commons
Roger A. Sheldon

Chemistry - A European Journal, Год журнала: 2024, Номер unknown

Опубликована: Сен. 6, 2024

Abstract The development of sustainable chemistry underlying the quest to minimize and/or valorize waste in carbon‐neutral manufacture chemicals is followed over last four five decades. Both chemo‐ and biocatalysis have played an indispensable role this odyssey. particular developments protein engineering, metagenomics bioinformatics preceding three decades a crucial supporting facilitating widespread application both whole cell cell‐free biocatalysis. pressing need, driven by climate change mitigation, for drastic reduction greenhouse gas (GHG) emissions, has precipitated energy transition based on decarbonization defossilization organic production. latter involves biomass CO 2 as feedstock green electricity generated using solar, wind, hydroelectric or nuclear energy. use polysaccharides feedstocks will underpin renaissance carbohydrate with pentoses hexoses base bio‐based solvents polymers environmentally friendly downstream products. availability inexpensive solar led increasing attention electro(bio)catalysis photo(bio)catalysis which turn leading myriad innovations these fields.

Язык: Английский

Процитировано

6