Limits of Ligand Selectivity from Docking to Models: In Silico Screening for A1 Adenosine Receptor Antagonists

PLoS ONE

Volumn 7, Issue 11, 2012, Pages

  Kolb, Peter ^a,c   Phan, Khai ^b   Gao, Zhan Guo ^b   Marko, Adam C ^a,d   Sali, Andrej ^a   Jacobson, Kenneth A ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

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

^c PHILIPPS UNIVERSITY MARBURG   (Germany)

^d ASURAGEN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A1 RECEPTOR; ADENOSINE A1 RECEPTOR ANTAGONIST; ADENOSINE A2A RECEPTOR; ADENOSINE A3 RECEPTOR; G PROTEIN COUPLED RECEPTOR;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; DRUG RECEPTOR BINDING; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; LIGAND BINDING; MOLECULAR DOCKING; STRUCTURAL HOMOLOGY;

BINDING SITES; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PURINERGIC P1 RECEPTOR ANTAGONISTS; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, PURINERGIC P1;

EID: 84869840124     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0049910     Document Type: Article

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