Molecular modeling and molecular dynamics simulation of the human A 2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists

Journal of Medicinal Chemistry

Volumn 48, Issue 22, 2005, Pages 6813-6820

  Ivanov, Andrei A ^a   Baskin, Igor I ^a   Palyulin, Vladimir A ^a   Piccagli, Laura ^b   Baraldi, Pier G ^b   Zefirov, Nikolai S ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF FERRARA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

1,3 DIPROPYL 8 (4 SULFOPHENYL)XANTHINE; 2 OLEOYL 1 PALMITOYLPHOSPHATIDYLCHOLINE; ADENOSINE A2 RECEPTOR ANTAGONIST; ADENOSINE A2B RECEPTOR; ADENOSINE A2B RECEPTOR ANTAGONIST; ASPARAGINE; HISTIDINE; LIGAND; SERINE PROTEINASE; THEOPHYLLINE; THREONINE; UNCLASSIFIED DRUG; XANTHINE DERIVATIVE;

ALPHA HELIX; ARTICLE; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; DRUG RECEPTOR BINDING; HUMAN; HYDROGEN BOND; HYDROPHILICITY; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PHOSPHOLIPID BILAYER; PROTEIN STRUCTURE; SIMULATION; SITE DIRECTED MUTAGENESIS; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; BINDING SITES; COMPUTER SIMULATION; HUMANS; LIPID BILAYERS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MUTAGENESIS, SITE-DIRECTED; PHOSPHOLIPIDS; RECEPTOR, ADENOSINE A2B; WATER;

EID: 27444442315     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049418o     Document Type: Article

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