3D-QSAR/CoMFA-based structure-affinity/selectivity relationships of aminoalkylindoles in the cannabinoid CB1 and CB2 receptors.

scientific article published on 5 March 2014

3D-QSAR/CoMFA-based structure-affinity/selectivity relationships of aminoalkylindoles in the cannabinoid CB1 and CB2 receptors. is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.3390/MOLECULES19032842
P932PMC publication ID6270810
P698PubMed publication ID24603555
P5875ResearchGate publication ID260610732

P2093author name stringJaime Mella-Raipán
César Morales-Verdejo
David Pessoa-Mahana
Santiago Hernández-Pino
P2860cites workAn effort to discover the preferred conformation of the potent AMG3 cannabinoid analog when reaching the active sites of the cannabinoid receptors.Q51501546
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Expression of central and peripheral cannabinoid receptors in human immune tissues and leukocyte subpopulationsQ24309438
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Design, synthesis, binding and docking-based 3D-QSAR studies of 2-pyridylbenzimidazoles--a new family of high affinity CB1 cannabinoid ligands.Q30612575
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Indol-3-yl-tetramethylcyclopropyl ketones: effects of indole ring substitution on CB2 cannabinoid receptor activityQ34756953
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Evaluation of the membrane permeability (PAMPA and skin) of benzimidazoles with potential cannabinoid activity and their relation with the Biopharmaceutics Classification System (BCS).Q42796713
CoMFA and CoMSIA analyses on 1,2,3,4-tetrahydropyrrolo[3,4-b]indole and benzimidazole derivatives as selective CB2 receptor agonistsQ43154543
Synthetic cannabinoid WIN55,212-2 inhibits generation of inflammatory mediators by IL-1beta-stimulated human astrocytesQ45076771
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rulesQ45776986
Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modesQ45781093
A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis.Q45964324
3D-QSAR studies of arylpyrazole antagonists of cannabinoid receptor subtypes CB1 and CB2. A combined NMR and CoMFA approachQ46899027
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteinsQ47746759
Role of cannabinoid CB1 receptors and Gi/o protein activation in the modulation of synaptosomal Na+,K+-ATPase activity by WIN55,212-2 and delta(9)-THC.Q48098989
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P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P433issue3
P407language of work or nameEnglishQ1860
P921main subjectcannabinoid receptorQ421237
cannabinoidsQ422936
CNR2Q17907844
P304page(s)2842-2861
P577publication date2014-03-05
P1433published inMoleculesQ151332
P1476title3D-QSAR/CoMFA-based structure-affinity/selectivity relationships of aminoalkylindoles in the cannabinoid CB1 and CB2 receptors
P478volume19

Reverse relations

cites work (P2860)
Q479513112D-QSAR and 3D-QSAR/CoMSIA Studies on a Series of (R)-2-((2-(1H-Indol-2-yl)ethyl)amino)-1-Phenylethan-1-ol with Human β₃-Adrenergic Activity
Q58696615Discovery of High-Affinity Cannabinoid Receptors Ligands through a 3D-QSAR Ushered by Scaffold-Hopping Analysis
Q36257797Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT1A ligands
Q30241053Focus on cannabinoids and synthetic cannabinoids
Q26829111Minireview: From the bench, toward the clinic: therapeutic opportunities for cannabinoid receptor modulation
Q59794173Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors
Q48075432New insights into PDE4B inhibitor selectivity: CoMFA analyses and molecular docking studies
Q91602718Receptor Binding Affinities of Synthetic Cannabinoids Determined by Non-Isotopic Receptor Binding Assay
Q64906019Three-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.

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