Computational studies of the binding modes of A2A adenosine receptor antagonists

Amino Acids

Volumn 35, Issue 2, 2008, Pages 389-396

  Ye, Y ^a   Wei, J ^a   Dai, X ^b   Gao, Q ^b  

^a TIANJIN UNIVERSITY   (China)

^b XenoPort Inc   (United States)

Author keywords

A2A AR antagonists; Adenosine receptors; Binding mode; Docking; Pharmacophore; Virtual screening

Indexed keywords

3,7 DIMETHYL 1 PROPARGYL 8 (3 BROMOSTYRYL) XANTHINE; 8 (3,4 DIMETHOXYSTYRYL) 7 METHYL 1,3 DIPROPYLXANTHINE; ADENOSINE A2A RECEPTOR; ADENOSINE A2A RECEPTOR ANTAGONIST; HYDROGEN; ISTRADEFYLLINE; UNCLASSIFIED DRUG; XANTHINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPUTER MODEL; CONTROLLED STUDY; DRUG PROTEIN BINDING; DRUG SCREENING; GENETIC VARIABILITY; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; PARKINSON DISEASE; PHARMACOPHORE; PRIORITY JOURNAL; RAT; THEORETICAL MODEL; VIRTUAL REALITY;

ANIMALS; BINDING SITES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RATS; RECEPTORS, ADENOSINE A2; STRUCTURE-ACTIVITY RELATIONSHIP; XANTHINES;

EID: 47349097287     PISSN: 09394451     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00726-007-0604-2     Document Type: Article

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