Quantum chemical studies of mechanisms for metalloenzymes
Two decades ago, theoretical model calculations played a truly minor role in understanding
mechanisms of redox-active metalloenzymes. The methods available to treat transition …
mechanisms of redox-active metalloenzymes. The methods available to treat transition …
[HTML][HTML] Compound-specific isotope analysis (CSIA) of micropollutants in the environment—current developments and future challenges
M Elsner, G Imfeld - Current opinion in biotechnology, 2016 - Elsevier
Highlights•CSIA bears great potential to evaluate micropollutant degradation in the
environment.•We review analytical challenges for CSIA of low concentration, polar …
environment.•We review analytical challenges for CSIA of low concentration, polar …
Active site hydrophobicity and the convergent evolution of paraoxonase activity in structurally divergent enzymes: the case of serum paraoxonase 1
D Blaha-Nelson, DM Kruger, K Szeler… - Journal of the …, 2017 - ACS Publications
Serum paraoxonase 1 (PON1) is a native lactonase capable of promiscuously hydrolyzing a
broad range of substrates, including organophosphates, esters, and carbonates …
broad range of substrates, including organophosphates, esters, and carbonates …
Nucleophilic substitution at phosphorus: stereochemistry and mechanisms
OI Kolodiazhnyi, A Kolodiazhna - Tetrahedron: Asymmetry, 2017 - Elsevier
This review is devoted to the stereochemistry of nucleophilic substitution reactions at
phosphorus. The study of the reactions of phosphoryl group transfer is important for …
phosphorus. The study of the reactions of phosphoryl group transfer is important for …
[HTML][HTML] Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily
A Pabis, SCL Kamerlin - Current opinion in structural biology, 2016 - Elsevier
Highlights•Enzyme promiscuity is widespread and important for the evolution of enzyme
function.•Alkaline phosphatases (APs) are a model system for understanding enzyme …
function.•Alkaline phosphatases (APs) are a model system for understanding enzyme …
Computational enzymology and organophosphorus degrading enzymes: promising approaches toward remediation technologies of warfare agents and pesticides
T C. Ramalho, A A. de Castro, D R. Silva… - Current Medicinal …, 2016 - benthamdirect.com
The re-emergence of chemical weapons as a global threat in hands of terrorist groups,
together with an increasing number of pesticides intoxications and environmental …
together with an increasing number of pesticides intoxications and environmental …
Molecular Basis of the Substrate Specificity of Phosphotriesterase from Pseudomonas diminuta: A Combined QM/MM MD and Electron Density Study
TI Mulashkina, AM Kulakova… - Journal of Chemical …, 2024 - ACS Publications
The occurrence of organophosphorus compounds, pesticides, and flame-retardants in
wastes is an emerging ecological problem. Bacterial phosphotriesterases are capable of …
wastes is an emerging ecological problem. Bacterial phosphotriesterases are capable of …
Modeling catalytic promiscuity in the alkaline phosphatase superfamily
F Duarte, BA Amrein, SCL Kamerlin - Physical Chemistry Chemical …, 2013 - pubs.rsc.org
In recent years, it has become increasingly clear that promiscuity plays a key role in the
evolution of new enzyme function. This finding has helped to elucidate fundamental aspects …
evolution of new enzyme function. This finding has helped to elucidate fundamental aspects …
Promiscuity in the enzymatic catalysis of phosphate and sulfate transfer
The enzymes that facilitate phosphate and sulfate hydrolysis are among the most proficient
natural catalysts known to date. Interestingly, a large number of these enzymes are …
natural catalysts known to date. Interestingly, a large number of these enzymes are …
Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase
Diverse organophosphate hydrolases have convergently evolved the ability to hydrolyse
man-made organophosphates. Thus, these enzymes are attractive model systems for …
man-made organophosphates. Thus, these enzymes are attractive model systems for …