Computational design of enzymes for biotechnological applications
Enzymes are the natural catalysts that execute biochemical reactions upholding life. Their
natural effectiveness has been fine-tuned as a result of millions of years of natural evolution …
natural effectiveness has been fine-tuned as a result of millions of years of natural evolution …
Recent progress of glycopolymer synthesis for biomedical applications
I Pramudya, H Chung - Biomaterials science, 2019 - pubs.rsc.org
Glycopolymers are an important class of biomaterials which include carbohydrate moieties
in their polymer structure. In addition to biological research on the interactions of …
in their polymer structure. In addition to biological research on the interactions of …
Distinct chemical factors in hydrolytic reactions catalyzed by metalloenzymes and metal complexes
LF Serafim, VM Jayasinghe-Arachchige… - Chemical …, 2023 - pubs.rsc.org
The selective hydrolysis of the extremely stable phosphoester, peptide and ester bonds of
molecules by bio-inspired metal-based catalysts (metallohydrolases) is required in a wide …
molecules by bio-inspired metal-based catalysts (metallohydrolases) is required in a wide …
The Impact of DFT functional, cluster model size, and implicit solvation on the structural description of single-metal-mediated DNA phosphodiester bond cleavage: the …
R Kaur, DJ Nikkel, MM Aboelnga… - The Journal of Physical …, 2022 - ACS Publications
Phosphodiester bond hydrolysis in nucleic acids is a ubiquitous reaction that can be
facilitated by enzymes called nucleases, which often use metal ions to achieve catalytic …
facilitated by enzymes called nucleases, which often use metal ions to achieve catalytic …
Effect of chemically distinct substrates on the mechanism and reactivity of a highly promiscuous metallohydrolase
In this DFT study, the substrate promiscuity of the binuclear [Fe (II)-Zn (II)] core containing
glycerophosphodiesterase (GpdQ) from Enterobacter aerogenes has been investigated …
glycerophosphodiesterase (GpdQ) from Enterobacter aerogenes has been investigated …
Elucidation of the catalytic mechanism of a single-metal dependent homing endonuclease using QM and QM/MM approaches: the case study of I-Ppo I
R Kaur, A Frederickson, SD Wetmore - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Homing endonucleases (HEs) are highly specific DNA cleaving enzymes, with I-PpoI having
been suggested to use a single metal to accelerate phosphodiester bond cleavage …
been suggested to use a single metal to accelerate phosphodiester bond cleavage …
Effective cleavage of phosphodiester promoted by the zinc (II) and copper (II) inclusion complexes of β-cyclodextrin
YH Zhou, LQ Chen, J Tao, JL Shen, DY Gong… - Journal of Inorganic …, 2016 - Elsevier
To construct the model of metallohydrolase, two inclusion complexes [MLCl 2 (β-CD)](1, M=
Zn (II); 2, M= Cu (II); L= N, N′-bis (2-pyridylmethyl) amantadine; β-CD= β-cyclodextrin) were …
Zn (II); 2, M= Cu (II); L= N, N′-bis (2-pyridylmethyl) amantadine; β-CD= β-cyclodextrin) were …
Investigating coordination flexibility of glycerophosphodiesterase (GpdQ) through interactions with mono-, di-, and triphosphoester (NPP, BNPP, GPE, and paraoxon) …
In this study, interactions of the catalytically active binuclear form of
glycerophosphodiesterase (GpdQ) with four chemically diverse substrates, ie NPP (a …
glycerophosphodiesterase (GpdQ) with four chemically diverse substrates, ie NPP (a …
QM/MM study of the mechanism of reduction of 3-hydroxy-3-methylglutaryl coenzyme A catalyzed by human HMG-CoA reductase
EF Oliveira, NM Cerqueira, MJ Ramos… - Catalysis Science & …, 2016 - pubs.rsc.org
Detailing with atomistic resolution the reaction mechanism of human HMG-CoA reductase
(HMG-CoA-R) might provide valuable insights for the development of new cholesterol …
(HMG-CoA-R) might provide valuable insights for the development of new cholesterol …
A triple alkoxo bridged dinuclear cobalt (III) complex mimicking phosphatase and showing ability to degrade organic dye contaminants by photocatalysis
A dinuclear cobalt (III) complex,[(N 3) L 1 Co III L 2 Co III L 1](1), has been synthesized and
characterized {H 2 L 1= 2-((1-hydroxybutan-2-ylimino) methyl)-4-bromophenol and HL 2= 2 …
characterized {H 2 L 1= 2-((1-hydroxybutan-2-ylimino) methyl)-4-bromophenol and HL 2= 2 …