3D-QSAR and 3D-QSSR models of negative allosteric modulators facilitate the design of a novel selective antagonist of human α4β2 neuronal nicotinic acetylcholine receptors

Bioorganic and Medicinal Chemistry Letters

Volumn 22, Issue 4, 2012, Pages 1797-1813

  Henderson, Brandon J ^a   Orac, Crina M ^b   MacIagiewicz, Iwona ^b   Bergmeier, Stephen C ^b   McKay, Dennis B ^a  

^a OHIO STATE UNIVERSITY   (United States)

^b OHIO UNIVERSITY   (United States)

Author keywords

Negative allosteric modulator (NAM); Nicotinic acetylcholine receptor (nAChR); Qualitative structure selectivity relationship (QSSR); Qualitative structure activity relationship (QSAR); Structure activity relationship (SAR); 3 4; 4 2

Indexed keywords

NICOTINIC RECEPTOR; NICOTINIC RECEPTOR ALPHA3BETA4; NICOTINIC RECEPTOR ALPHA4BETA2; NICOTINIC RECEPTOR ALPHA4BETA2 ANTAGONIST; NICOTINIC RECEPTOR BLOCKING AGENT; UNCLASSIFIED DRUG;

ALLOSTERISM; ARTICLE; CHEMICAL MODEL; DRUG MECHANISM; DRUG POTENCY; DRUG SELECTIVITY; DRUG STRUCTURE; HUMAN; IC 50; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SITE DIRECTED MUTAGENESIS;

EID: 84856627191     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2011.11.051     Document Type: Article

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