Molecular interactions between fenoterol stereoisomers and derivatives and the β2-adrenergic receptor binding site studied by docking and molecular dynamics simulations

Journal of Molecular Modeling

Volumn 19, Issue 11, 2013, Pages 4919-4930

  Plazinska, Anita ^a   Kolinski, Michal ^a,b   Wainer, Irving W ^c   Jozwiak, Krzysztof ^a  

^a MEDICAL UNIVERSITY OF LUBLIN   (Poland)

^b MOSSAKOWSKI MEDICAL RESEARCH CENTRE   (Poland)

^c NATIONAL INSTITUTE ON AGING   (United States)

Author keywords

2 adrenergic receptor; Docking; Fenoterol; GPCRs; Molecular dynamics; Stereoisomers

Indexed keywords

BETA 2 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR STIMULATING AGENT; BI 167107; CARAZOLOL; FENOTEROL; G PROTEIN COUPLED RECEPTOR; LYSOZYME; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG MECHANISM; DRUG RECEPTOR BINDING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR PROBE; PRIORITY JOURNAL; STEREOCHEMISTRY; STEREOISOMERISM;

ADRENERGIC BETA-2 RECEPTOR AGONISTS; BINDING SITES; FENOTEROL; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; RECEPTORS, ADRENERGIC, BETA-2; RECEPTORS, G-PROTEIN-COUPLED; STEREOISOMERISM;

EID: 84888291671     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1981-y     Document Type: Article

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