Publication: Small-Molecule Inhibitors of the m7G-RNA Writer METTL1
Date
Date
Date
2024
Journal Article
Published version
Abstract
Abstract
Abstract
We discovered the first inhibitors of the m7G-RNA writer METTL1 by high-throughput docking and an enzymatic assay based on luminescence. Eleven compounds, which belong to three different chemotypes, show inhibitory activity in the range 40-300 μM. Two adenine derivatives identified by docking have very favorable ligand efficiency of 0.34 and 0.31 kcal/mol per non-hydrogen atom, respectively. Molecular dynamics simulations provide evidence that the inhibitors compete with the binding of the cosubstrate S-adenosyl methionine to METTL1.
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20 since deposited on 2024-09-13
19last week
Acq. date: 2025-11-14
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52 since deposited on 2024-09-13
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Acq. date: 2025-11-14
Additional indexing
Creators (Authors)
- Nai, Francesco
- Flores Espinoza, Maria Paula
- Invernizzi, Annalisa
- Vargas-Rosales, Pablo Andrés
- Bobileva, Olga
- Herok, Marcin
- Caflisch, Amedeo
Volume
Volume
Volume
4
Number
Number
Number
2
Page range/Item number
Page range/Item number
Page range/Item number
100
Page end
Page end
Page end
110
Item Type
Item Type
Item Type
Journal Article
Dewey Decimal Classifikation
Dewey Decimal Classifikation
Dewey Decimal Classifikation
Language
Language
Language
English
Publication date
Publication date
Publication date
2024-04-17
Date available
Date available
Date available
2024-09-13
ISSN or e-ISSN
ISSN or e-ISSN
ISSN or e-ISSN
2694-2437
OA Status
OA Status
OA Status
Gold
Free Access at
Free Access at
Free Access at
DOI
Publisher DOI
Metrics
Downloads
20 since deposited on 2024-09-13
19last week
Acq. date: 2025-11-14
Views
52 since deposited on 2024-09-13
51last week
Acq. date: 2025-11-14
Gold Open Access
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