Structure-Based Discovery of Receptor Activator of Nuclear Factor-κB Ligand (RANKL)-Induced Osteoclastogenesis Inhibitors.
cell-based assay
compound solubility
computer-aided drug discovery
small-molecule inhibitor
synthesis
toxicity evaluation
virtual screening
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
10 Jul 2023
10 Jul 2023
Historique:
received:
22
06
2023
revised:
07
07
2023
accepted:
08
07
2023
medline:
31
7
2023
pubmed:
29
7
2023
entrez:
29
7
2023
Statut:
epublish
Résumé
Receptor activator of nuclear factor-κB ligand (RANKL) has been actively pursued as a therapeutic target for osteoporosis, given that RANKL is the master mediator of bone resorption as it promotes osteoclast differentiation, activity and survival. We employed a structure-based virtual screening approach comprising two stages of experimental evaluation and identified 11 commercially available compounds that displayed dose-dependent inhibition of osteoclastogenesis. Their inhibitory effects were quantified through TRAP activity at the low micromolar range (IC
Identifiants
pubmed: 37511048
pii: ijms241411290
doi: 10.3390/ijms241411290
pmc: PMC10379842
pii:
doi:
Substances chimiques
I-kappa B Proteins
0
NF-kappa B
0
NFATC Transcription Factors
0
RANK Ligand
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : European Regional Development Fund-ERDF and Greek national funds
ID : TheRAlead (09SYN-21-784)
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