Docking studies on a refined human β2 adrenoceptor model yield theoretical affinity values in function with experimental values for R-ligands, but not for S-antagonists

Journal of Molecular Modeling

Volumn 16, Issue 3, 2010, Pages 401-409

  Soriano Ursúa, Marvin A ^a   Trujillo Ferrara, José G ^a   Álvarez Cedillo, Jesús ^a   Correa Basurto, José ^a  

^a INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

Author keywords

2 adrenergic receptor; Docking; Eutomer; Stereoselectivity

Indexed keywords

3 ISOPROPYLAMINO 1 (7 METHYL 4 INDANYLOXY) 2 BUTANOL; ALPRENOLOL; ATENOLOL; BETA 2 ADRENERGIC RECEPTOR; BETA 2 ADRENERGIC RECEPTOR BLOCKING AGENT; BETA 2 ADRENERGIC RECEPTOR STIMULATING AGENT; CARAZOLOL; CARMOTEROL; CARVEDILOL; CLENBUTEROL; DOPAMINE; FENOTEROL; FORMOTEROL; ISOPRENALINE; NORADRENALIN; ORCIPRENALINE; PINDOLOL; PROPRANOLOL; RITODRINE; SALBUTAMOL; SALMETEROL; TERBUTALINE; LIGAND;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL BINDING; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG STRUCTURE; ENANTIOMER; IN VITRO STUDY; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN STRUCTURE; RECEPTOR BINDING; STEREOCHEMISTRY; THEORETICAL STUDY; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG POTENTIATION; HUMAN; STEREOISOMERISM; X RAY CRYSTALLOGRAPHY;

ALBUTEROL; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; HUMANS; LIGANDS; MODELS, MOLECULAR; RECEPTORS, ADRENERGIC, BETA-2; STEREOISOMERISM;

EID: 77951227614     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-009-0563-5     Document Type: Article

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