Three-Dimensional Quantitative Structure-Activity Relationships (3D-QSAR) on a Series of Piperazine-Carboxamides Fatty Acid Amide Hydrolase (FAAH) Inhibitors as a Useful Tool for the Design of New Cannabinoid Ligands.
3D-QSAR
CoMSIA.
Fatty Acid Amide Hydrolase
cannabinoid
carboxamide inhibitors
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:
21 May 2019
21 May 2019
Historique:
received:
21
02
2019
revised:
27
04
2019
accepted:
07
05
2019
entrez:
24
5
2019
pubmed:
24
5
2019
medline:
4
12
2019
Statut:
epublish
Résumé
Fatty Acid Amide Hydrolase (FAAH) is one of the main enzymes responsible for endocannabinoid metabolism. Inhibition of FAAH increases endogenous levels of fatty acid ethanolamides such as anandamide (AEA) and thus consitutes an indirect strategy that can be used to modulate endocannabinoid tone. In the present work, we present a three-dimensional quantitative structure-activity relationships/comparative molecular similarity indices analysis (3D-QSAR/CoMSIA) study on a series of 90 reported irreversible inhibitors of FAAH sharing a piperazine-carboxamide scaffold. The model obtained was extensively validated (q
Identifiants
pubmed: 31117309
pii: ijms20102510
doi: 10.3390/ijms20102510
pmc: PMC6566251
pii:
doi:
Substances chimiques
Cannabinoids
0
Enzyme Inhibitors
0
Ligands
0
Amidohydrolases
EC 3.5.-
fatty-acid amide hydrolase
EC 3.5.1.-
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Comisión Nacional de Investigación Científica y Tecnológica
ID : 1150121
Organisme : Comisión Nacional de Investigación Científica y Tecnológica
ID : 11130701
Déclaration de conflit d'intérêts
The authors declare no conflict of interest.
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