Revisiting a receptor-based pharmacophore hypothesis for human A 2A adenosine receptor antagonists

Journal of Chemical Information and Modeling

Volumn 53, Issue 7, 2013, Pages 1620-1637

  Bacilieri, Magdalena ^a   Ciancetta, Antonella ^a   Paoletta, Silvia ^a   Federico, Stephanie ^b   Cosconati, Sandro ^c   Cacciari, Barbara ^d   Taliani, Sabrina ^e   Da Settimo, Federico ^e   Novellino, Ettore ^c   Klotz, Karl Norbert ^f   Spalluto, Giampiero ^b   Moro, Stefano ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b UNIVERSITY OF TRIESTE   (Italy)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^d UNIVERSITY OF FERRARA   (Italy)

^e UNIVERSITY OF PISA   (Italy)

^f UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; LIGANDS; THREE DIMENSIONAL COMPUTER GRAPHICS;

ADENOSINE RECEPTOR; CONFORMATIONAL ANALYSIS; CRYSTALLOGRAPHIC STRUCTURE; DESIGN APPROACHES; DRUG CANDIDATES; PHARMACOPHORES; PREDICTIVE ABILITIES; STRUCTURE-BASED;

PHARMACODYNAMICS;

4 [2 [7 AMINO 2 (2 FURYL) 1,2,4 TRIAZOLO[2,3 A][1,3,5]TRIAZIN 5 YLAMINO]ETHYL]PHENOL; ADENOSINE A2 RECEPTOR ANTAGONIST; ADENOSINE A2A RECEPTOR; TRIAZINE DERIVATIVE; TRIAZOLE DERIVATIVE;

ARTICLE; CHEMISTRY; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR DOCKING; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY;

ADENOSINE A2 RECEPTOR ANTAGONISTS; DRUG DESIGN; HUMANS; MOLECULAR DOCKING SIMULATION; PROTEIN CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, ADENOSINE A2A; STATIC ELECTRICITY; TRIAZINES; TRIAZOLES;

EID: 84880562618     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300615u     Document Type: Article

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