Melatonin Activation by Human Cytochrome P450 Enzymes: A Comparison between Different Isozymes.
computational modelling
cytochrome P450
density functional theory
enzyme catalysis
enzyme mechanism
molecular dynamics
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
06 Oct 2023
06 Oct 2023
Historique:
received:
28
08
2023
revised:
30
09
2023
accepted:
02
10
2023
medline:
23
10
2023
pubmed:
14
10
2023
entrez:
14
10
2023
Statut:
epublish
Résumé
Cytochrome P450 enzymes in the human body play a pivotal role in both the biosynthesis and the degradation of the hormone melatonin. Melatonin plays a key role in circadian rhythms in the body, but its concentration is also linked to mood fluctuations as well as emotional well-being. In the present study, we present a computational analysis of the binding and activation of melatonin by various P450 isozymes that are known to yield different products and product distributions. In particular, the P450 isozymes 1A1, 1A2, and 1B1 generally react with melatonin to provide dominant aromatic hydroxylation at the C
Identifiants
pubmed: 37836804
pii: molecules28196961
doi: 10.3390/molecules28196961
pmc: PMC10574541
pii:
doi:
Substances chimiques
Isoenzymes
0
Melatonin
JL5DK93RCL
Cytochrome P-450 Enzyme System
9035-51-2
Heme
42VZT0U6YR
Cytochrome P-450 CYP1A2
EC 1.14.14.1
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
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