CH/π hydrogen bonds play a role in ligand recognition and equilibrium between active and inactive states of the β2 adrenergic receptor: An ab initio fragment molecular orbital (FMO) study

Bioorganic and Medicinal Chemistry

Volumn 19, Issue 17, 2011, Pages 5231-5237

  Ozawa, Tomonaga ^a   Okazaki, Kosuke ^a   Kitaura, Kazuo ^b  

^a KISSEI PHARMACEUTICAL CO LTD   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

2 adrenergic receptor; An ab initio fragment molecular orbital (FMO) method; CH hydrogen bond; Equilibrium between active and inactive states; G protein coupled receptors (GPCRs); Weak hydrogen bond; Weak molecular interaction

Indexed keywords

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

AB INITIO FRAGMENT MOLECULAR ORBITAL METHOD; ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; ENERGY; HYDROGEN BOND; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR INTERACTION ENERGY; MOLECULAR RECOGNITION; RECEPTOR BINDING; STRUCTURE ACTIVITY RELATION;

ADRENERGIC BETA-2 RECEPTOR AGONISTS; DRUG INVERSE AGONISM; HYDROGEN BONDING; LIGANDS; MOLECULAR CONFORMATION; PROPANOLAMINES; PROTEIN BINDING; QUANTUM THEORY; RECEPTORS, ADRENERGIC, BETA-2;

EID: 84860389789     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2011.07.004     Document Type: Article

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