Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study.

Lactoylglutathione Lyase / chemistry Molecular Dynamics Simulation Reproducibility of Results Thiolester Hydrolases / chemistry

Journal

The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530

Informations de publication

Date de publication:
25 05 2023
Historique:
medline: 26 5 2023
pubmed: 16 5 2023
entrez: 16 5 2023
Statut: ppublish

Résumé

Methylglyoxal (MG) is a reactive and toxic compound produced in carbohydrate, lipid, and amino acid metabolism. The glyoxalase system is the main detoxifying route for MG and consists of two enzymes, glyoxalase I (GlxI) and glyoxalase II (GlxII). GlxI catalyzes the formation of

Identifiants

DOI: 10.1021/acs.jpcb.3c01495 PMID: 37191640
pubmed: 37191640
doi: 10.1021/acs.jpcb.3c01495
doi:

Substances chimiques

hydroxide ion 9159UV381P
hydroxyacylglutathione hydrolase EC 3.1.2.6
Lactoylglutathione Lyase EC 4.4.1.5
Thiolester Hydrolases EC 3.1.2.-

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

4480-4495

Auteurs

Javad Shirazi (J)

Department of Chemistry, University of Kurdistan, P.O. Box 66175-416, 66177-15177 Sanandaj, Iran.
ORCID: 0000-0002-9501-942X

Sonia Jafari (S)

Department of Chemistry, University of Kurdistan, P.O. Box 66175-416, 66177-15177 Sanandaj, Iran.
ORCID: 0000-0002-6606-6198

Ulf Ryde (U)

Department of Theoretical Chemistry, Lund University, P.O. Box 124, SE-221 00 Lund, Sweden.
ORCID: 0000-0001-7653-8489

Mehdi Irani (M)

Department of Chemistry, University of Kurdistan, P.O. Box 66175-416, 66177-15177 Sanandaj, Iran.
ORCID: 0000-0002-7409-7760

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Classifications MeSH

questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Lyases › Carbon-sulfur lyases › Lactoyl glutathione lyase › Catalytic Reaction Mechanism of Glyoxalase II:...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Catalytic Reaction Mechanism of Glyoxalase II:...
questionsmedicales.fr › Environnement et santé publique › Santé publique › Méthodes épidémiologiques › Méthodologie en recherche épidémiologique › Reproductibilité des résultats › Catalytic Reaction Mechanism of Glyoxalase II:...
questionsmedicales.fr › Enzymes et coenzymes › Enzymes › Hydrolases › Esterases › Thiolester hydrolases › Catalytic Reaction Mechanism of Glyoxalase II:...