3D-QSAR studies of arylpyrazole antagonists of cannabinoid receptor subtypes CB1 and CB2. A combined NMR and CoMFA approach

Journal of Medicinal Chemistry

Volumn 49, Issue 2, 2006, Pages 625-636

  Chen, Jian Zhong ^a,b   Han, Xiu Wen ^b,c   Liu, Qian ^b   Makriyannis, Alexandros ^b   Wang, Junmei ^a   Xie, Xiang Qun ^a,b  

^a UNIVERSITY OF HOUSTON   (United States)

^b UNIVERSITY OF CONNECTICUT   (United States)

^c DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

2,3 DIHYDRO 5 METHYL 3 (MORPHOLINOMETHYL) 6 (1 NAPHTHOYL)PYRROLO[1,2,3 DE][1,4]BENZOXAZINE; 4 (1,1 DIMETHYLHEPTYL) 1',2',3',4',5',6' HEXAHYDRO 2,3' DIHYDROXY 6' (3 HYDROXYPROPYL)BIPHENYL; 5 (4 CHLORO 3 METHYLPHENYL) 1 (4 METHYLBENZYL) N (1,3,3 TRIMETHYLBICYCLO[2.2.1]HEPTAN 2 YL) 3 PYRAZOLECARBOXAMIDE; AM 263; ANANDAMIDE; ARYLPYRAZOLE ANTAGONIST; CANNABINOID 1 RECEPTOR; CANNABINOID 2 RECEPTOR; CANNABINOID RECEPTOR ANTAGONIST; DRONABINOL; N (PIPERIDINE 1 YL) 5 PHENYL 1 (N PENTYL) 4 METHYL 1H PYRAZOLE 3 CARBOXAMIDE; PYRAZOLE DERIVATIVE; RIMONABANT; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG RECEPTOR BINDING; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY; STEREOCHEMISTRY; STRUCTURE ANALYSIS; THREE DIMENSIONAL IMAGING;

AMINO ACID MOTIFS; BINDING SITES; COMPUTER SIMULATION; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, CANNABINOID, CB1; RECEPTOR, CANNABINOID, CB2; SOLUTIONS;

EID: 31544467861     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050655g     Document Type: Article

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