Novel Sigma 1 Receptor Antagonists as Potential Therapeutics for Pain Management.
Animals
Binding Sites
Blood-Brain Barrier
/ metabolism
Drug Design
Guinea Pigs
Half-Life
Humans
Microsomes, Liver
/ metabolism
Molecular Dynamics Simulation
Neuralgia
/ chemically induced
Pain Management
/ methods
Protein Structure, Tertiary
Quantitative Structure-Activity Relationship
Rats
Receptors, sigma
/ antagonists & inhibitors
Triazoles
/ chemistry
Sigma-1 Receptor
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:
14 01 2021
14 01 2021
Historique:
pubmed:
30
12
2020
medline:
22
1
2021
entrez:
29
12
2020
Statut:
ppublish
Résumé
The sigma 1 receptor (S1R) is a molecular chaperone protein located in the endoplasmic reticulum and plasma membranes and has been shown to play important roles in various pathological disorders including pain and, as recently discovered, COVID-19. Employing structure- and QSAR-based drug design strategies, we rationally designed, synthesized, and biologically evaluated a series of novel triazole-based S1R antagonists. Compound
Identifiants
pubmed: 33372782
doi: 10.1021/acs.jmedchem.0c01964
doi:
Substances chimiques
Receptors, sigma
0
Triazoles
0
1,2,4-triazole
288-88-0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM