Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A(1), A (2A), A (2B), and A (3) receptor antagonists.

Journal of computer-aided molecular design

Volumn 26, Issue 11, 2012, Pages 1247-1266

  Sirci, Francesco ^a   Goracci, Laura ^b   Rodríguez, David ^b   van Muijlwijk Koezen, Jacqueline ^b   Gutiérrez de Terán, Hugo ^b   Mannhold, Raimund ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE A1 RECEPTOR ANTAGONIST; ADENOSINE A2 RECEPTOR ANTAGONIST; ADENOSINE A3 RECEPTOR ANTAGONIST; ADENOSINE RECEPTOR; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ADENOSINE A1 RECEPTOR ANTAGONISTS; ADENOSINE A2 RECEPTOR ANTAGONISTS; ADENOSINE A3 RECEPTOR ANTAGONISTS; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; RECEPTORS, PURINERGIC P1; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84877651696     PISSN: None     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-012-9612-8     Document Type: Article

References (0)