Prediction of the binding mode of biarylpropylsulfonamide allosteric AMPA receptor modulators based on docking, GRID molecular interaction fields and 3D-QSAR analysis

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 5, 2008, Pages 874-883

  Harpsøe, Kasper ^a   Liljefors, Tommy ^a   Balle, Thomas ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

3D QSAR; Allosteric modulators; AMPA receptor; Biarylpropylsulfonamides; Binding mode; Docking; Glide; GOLPE; GRID

Indexed keywords

ALLOSTERIC MODULATORS; AMPA RECEPTORS; BIARYLPROPYLSULFONAMIDES; BINDING MODES;

BINDING SITES; HYDROGEN BONDS; LIGANDS; MOLECULAR INTERACTIONS; PROTEINS;

AMIDES;

AGENTS INTERACTING WITH TRANSMITTER, HORMONE OR DRUG RECEPTORS; AMPA RECEPTOR; ANIRACETAM; BIARYLPROPYLSULFONAMIDE DERIVATIVE; CX 614; CYCLOTHIAZIDE; IONOTROPIC RECEPTOR; N [2 [4 (4 CYANOPHENYL)PHENYL]PROPYL] 2 PROPANESULFONAMIDE; SULFONAMIDE; UNCLASSIFIED DRUG;

ALLOSTERISM; ARTICLE; BINDING AFFINITY; BINDING SITE; CRYSTAL STRUCTURE; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALLOSTERIC REGULATION; ANIMALS; BINDING SITES; CELL LINE; COMPUTATIONAL BIOLOGY; HUMANS; HYDROGEN BONDING; LEAST-SQUARES ANALYSIS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RATS; RECEPTORS, AMPA; SOFTWARE; STEREOISOMERISM; SULFONAMIDES; WATER;

EID: 36749075049     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.06.002     Document Type: Article

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