Molecular modeling of σ1 receptor ligands: A model of binding conformational and electrostatic considerations

Journal of Molecular Graphics and Modelling

Volumn 22, Issue 3, 2004, Pages 221-230

  Gund, Tamara M ^a   Floyd, Jie ^a   Jung, Dawoon ^a  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Pharmacophore; Sybyl; 1 ligand; 1 receptor

Indexed keywords

AROMATIC COMPOUNDS; DATABASE SYSTEMS; DRUG PRODUCTS; ELECTROSTATICS; HYDROGEN BONDS; HYDROPHOBICITY; NITROGEN; OXYGEN; SULFUR;

RECEPTOR BINDING SITES;

MOLECULAR GRAPHICS;

1 (2 FLUOROETHYL) 4 [(4 IODOPHENOXY)METHYL]PIPERIDINE; 1 PHENYLCYCLOHEXANECARBOXYLIC ACID 2 MORPHOLINOETHYL ESTER; 1 PROPYL 5 [3 (4 TOLYLISOXAZOL 5 YL)] 1,2,3,6 TETRAHYDROPYRIDINE; 3 (1 PIPERIDINOETHYL) 6 PROPYLBENZOTHIAZOLIN 2 ONE; HALOPERIDOL; N (N BENZYLPIPERIDIN 4 YL) 2 FLUOROBENZAMIDE; N ALLYLNORMETAZOCINE; OPIATE RECEPTOR AFFECTING AGENT; PD 144418; PENTAZOCINE; PRECLAMOL; PROGESTERONE; SIGMA 1 OPIATE RECEPTOR; SPIPETHIANE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; DRUG POTENCY; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; ELECTRICITY; HYDROGEN BOND; HYDROPHOBICITY; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0242642846     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2003.08.001     Document Type: Article

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