Docking studies of agonists and antagonists suggest an activation pathway of the A3 adenosine receptor

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 4, 2006, Pages 562-577

  Kim, Soo Kyung ^a   Gao, Zhan Guo ^a   Jeong, Lak Shin ^b   Jacobson, Kenneth A ^a  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

^b Ewha Womans University   (South Korea)

Author keywords

7TM receptor; Binding site; G protein coupled receptor; Homology modeling; Nucleoside; Purines

Indexed keywords

ACTIVATION ANALYSIS; COMPLEXATION; CONFORMATIONS; MOLECULAR DYNAMICS; PROTEINS; REACTION KINETICS;

BINDING SITE; HOMOLOGY MODELING; LIGANDS; NUCLEOSIDES; PURINES; STRUCTURAL DETERMINANTS;

MOLECULAR BIOLOGY;

2 (2 FURYL) 5 [3 (4 METHOXYPHENYL)UREIDO] 8 PROPYLPYRAZOLO[4,3 E] 1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 2 CHLORO N 6 (3 IODOBENZYL) 5' N METHYLCARBOXAMIDOADENOSINE; 5 [[(4 METHOXYPHENYL)AMINO]CARBONYL]AMINO 8 METHYL 2 (2 FURYL)PYRAZOLO[4,3 E] 1,2,4 TRIAZOLO[1,5 C]PYRIMIDINE; 6 ETHYL 4 PROPYL 2 PHENYL 3 PYRIDINECARBOXYLIC ACID 5 THIOCARBOXYLIC ACID 5 ETHYL 3 PROPYL ESTER; 8 ETHYL 4 METHYL 2 PHENYLIMIDAZO[2,1 I]PURIN 5 ONE; 9 CHLORO 2 (2 FURYL) 5 PHENYLACETYLAMINO 1,2,4 TRIAZOLO[1,5 C]QUINAZOLINE; ACETAMIDE DERIVATIVE; ADENOSINE A3 RECEPTOR; ADENOSINE A3 RECEPTOR AGONIST; ADENOSINE A3 RECEPTOR ANTAGONIST; ADENOSINE DERIVATIVE; DIHYDROPYRIDINE DERIVATIVE; IMIDAZOLE DERIVATIVE; LIGAND; MRS 1292; MRS 1334; MRS 1898; MRS 1939; MRS 3057; MRS 3156; MRS 3244; MRS 3279; MRS 3310; MRS 3771; MRS 541; MRS 542; MUSCARINIC M3 RECEPTOR; N [3 (4 METHOXYPHENYL)[1,2,4]THIADIAZOL 5 YL]ACETAMIDE; PSB 11; PYRAZOLE DERIVATIVE; PYRIDINE DERIVATIVE; PYRIMIDINE DERIVATIVE; RHODOPSIN; RIBOSE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CROSS LINKING; DRUG RECEPTOR BINDING; HYDROGEN BOND; HYDROPHILICITY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MOLECULAR STABILITY; PRIORITY JOURNAL; PROTEIN DOMAIN;

ADENOSINE; ANIMALS; BINDING SITES; COMPUTER SIMULATION; HUMANS; HYDROGEN BONDING; IMIDAZOLES; LIGANDS; MODELS, MOLECULAR; PHENYLUREA COMPOUNDS; PROTEIN CONFORMATION; PURINES; RATS; RECEPTOR, ADENOSINE A3; RECEPTOR, MUSCARINIC M3; STRUCTURE-ACTIVITY RELATIONSHIP; TRIAZOLES;

HUMAN ECHOVIRUS 1;

EID: 33750439761     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.05.004     Document Type: Article

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