A computational study of the binding of 3-(arylidene) anabaseines to two major brain nicotinic acetylcholine receptors and to the acetylcholine binding protein

European Journal of Medicinal Chemistry

Volumn 45, Issue 6, 2010, Pages 2433-2446

  Slavov, Svetoslav H ^a   Radzvilovits, Maksim ^a   LeFrancois, Susan ^b   Stoyanova Slavova, Iva B ^a   Soti, Ferenc ^b   Kem, William R ^b   Katritzky, Alan R ^a  

^a University of Florida ^*  (United States)

^b UNIVERSITY OF FLORIDA COLLEGE OF MEDICINE   (United States)

Author keywords

AChBP; Anabaseine; Benzylidene anabaseine; DMBXA; Docking; GTS 21; Nicotinic acetylcholine receptor; QSAR

Indexed keywords

3 (ARYLIDENE) ANABASEINE DERIVATIVE; ACETYLCHOLINE; ACETYLCHOLINE BINDING PROTEIN; ANABASINE DERIVATIVE; AROMATIC COMPOUND; BENZYLIDENE DERIVATIVE; BINDING PROTEIN; BUNGAROTOXIN RECEPTOR; LIGAND; NICOTINIC RECEPTOR; NICOTINIC RECEPTOR ALPHA4BETA2; NITROGEN; UNCLASSIFIED DRUG; WATER;

ANIMAL TISSUE; APLYSIA; ARTICLE; ATOM; BINDING AFFINITY; BINDING SITE; BRAIN; CHEMICAL INTERACTION; CIRCLING BEHAVIOR; CRYSTAL STRUCTURE; HYDROGEN BOND; MOLECULAR DOCKING; NONHUMAN; PROTEIN TARGETING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; SOLUBILITY; STEREOSPECIFICITY; SURFACE PROPERTY;

ANABASINE; ANIMALS; APLYSIA; BRAIN; CARRIER PROTEINS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NICOTINIC ANTAGONISTS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RECEPTORS, NICOTINIC;

EID: 77950863602     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2010.02.027     Document Type: Article

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