Molecular docking study of A3 adenosine receptor antagonists and pharmacophore-based drug design

Neurochemistry International

Volumn 55, Issue 7, 2009, Pages 637-642

  Wei, Jing ^a   Li, Hui ^a   Qu, Wanlu ^a   Gao, Qingzhi ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

A3 adenosine receptor; Antagonist; Docking; Pharmacophore based virtual library screening

Indexed keywords

2 (4 BROMOPHENYL) 7,8 DIHYDRO 4 PROPYL 1H IMIDAZO[2,1 I]PURIN 5 4H ONE; ADENOSINE A3 RECEPTOR; ADENOSINE A3 RECEPTOR ANTAGONIST; ASPARAGINE; IMIDAZOPURINE DERIVATIVE; KF 26777; LIGAND; N (2 METHOXYPHENYL) N [2 (3 PYRIDYL)QUINAZOLIN 4 YL]UREA; PHENYLALANINE; PURINE DERIVATIVE; PYRROLOPURINE DERIVATIVE; QUINAZOLINE DERIVATIVE; TRIAZOLOPURINE DERIVATIVE; UNCLASSIFIED DRUG; VUF 5574;

ARTICLE; BINDING SITE; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG SCREENING; DRUG STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN STRUCTURE; SIMULATION;

BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; RECEPTOR, ADENOSINE A3; REPRODUCIBILITY OF RESULTS; SOFTWARE;

RUMEX;

EID: 69349096918     PISSN: 01970186     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.neuint.2009.06.006     Document Type: Article

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