Molecular docking screening using agonist-bound GPCR structures: Probing the A2A adenosine receptor

Journal of Chemical Information and Modeling

Volumn 55, Issue 3, 2015, Pages 550-563

  Rodríguez, David ^a,b   Gao, Zhang Guo ^c   Moss, Steven M ^c   Jacobson, Kenneth A ^c   Carlsson, Jens ^a,b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b Linköping University   (Sweden)

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

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; CHEMICAL ACTIVATION; COMPLEX NETWORKS; DIAGNOSIS; LIGANDS;

ACTIVATION MECHANISMS; ADENOSINE RECEPTOR; CARDIO-VASCULAR DISEASE; G PROTEIN COUPLED RECEPTORS; RECEPTOR ACTIVATION; RECEPTOR-LIGAND INTERACTIONS; STRUCTURE BASED DRUG DESIGNS; THERAPEUTIC TARGETS;

CRYSTAL ATOMIC STRUCTURE;

ADENOSINE A2 RECEPTOR AGONIST; ADENOSINE A2 RECEPTOR ANTAGONIST; ADENOSINE A2A RECEPTOR; G PROTEIN COUPLED RECEPTOR; LIGAND;

ANIMAL; CHEMISTRY; CHO CELL LINE; CRICETULUS; DRUG DESIGN; DRUG DEVELOPMENT; DRUG EFFECTS; GENETICS; HUMAN; METABOLISM; MOLECULAR DOCKING; PRECLINICAL STUDY; PROCEDURES; PROSPECTIVE STUDY; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ADENOSINE A2 RECEPTOR AGONISTS; ADENOSINE A2 RECEPTOR ANTAGONISTS; ANIMALS; CHO CELLS; CRICETULUS; DRUG DESIGN; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROSPECTIVE STUDIES; PROTEIN CONFORMATION; RECEPTOR, ADENOSINE A2A; RECEPTORS, G-PROTEIN-COUPLED; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84925392495     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500639g     Document Type: Article

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