Three-Dimensional Proteome-Wide Scale Screening for the 5-Alpha Reductase Inhibitor Finasteride: Identification of a Novel Off-Target.
5-alpha Reductase Inhibitors
/ chemistry
Animals
Binding Sites
Binding, Competitive
Catecholamines
/ analysis
Chromatography, High Pressure Liquid
Databases, Protein
Epinephrine
/ metabolism
Finasteride
/ chemistry
Humans
Male
Molecular Docking Simulation
Molecular Dynamics Simulation
Phenylethanolamine N-Methyltransferase
/ chemistry
Protein Binding
Rats
Rats, Sprague-Dawley
Tandem Mass Spectrometry
Thermodynamics
Journal
Journal of medicinal chemistry
ISSN: 1520-4804
Titre abrégé: J Med Chem
Pays: United States
ID NLM: 9716531
Informations de publication
Date de publication:
22 04 2021
22 04 2021
Historique:
pubmed:
13
4
2021
medline:
17
6
2021
entrez:
12
4
2021
Statut:
ppublish
Résumé
Finasteride, a 5-alpha reductase (5α-R) inhibitor, is a widely used drug for treating androgen-dependent conditions. However, its use is associated with sexual, psychological, and physical complaints, suggesting that other mechanisms, in addition to 5α-R inhibition, may be involved. Here, a multidisciplinary approach has been used to identify potential finasteride off-target proteins. SPILLO-PBSS software suggests an additional inhibitory activity of finasteride on phenylethanolamine
Identifiants
pubmed: 33843213
doi: 10.1021/acs.jmedchem.0c02039
pmc: PMC8154553
doi:
Substances chimiques
5-alpha Reductase Inhibitors
0
Catecholamines
0
Finasteride
57GNO57U7G
Phenylethanolamine N-Methyltransferase
EC 2.1.1.28
Epinephrine
YKH834O4BH
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
4553-4566Références
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