2D conformationally sampled pharmacophore: A ligand-based pharmacophore to differentiate δ opioid agonists from antagonists

Journal of the American Chemical Society

Volumn 125, Issue 10, 2003, Pages 3101-3107

  Bernard, Denzil ^a   Coop, Andrew ^a   MacKerell Jr , Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PHARMACOPHORES;

CONFORMATIONS; MOLECULAR DYNAMICS; PHARMACODYNAMICS;

DRUG PRODUCTS;

DP 12505; LIGAND; OPIATE AGONIST; OPIATE ANTAGONIST; SIGMA OPIATE RECEPTOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; DRUG ACTIVITY; DRUG DESIGN; DRUG RECEPTOR BINDING; LIGAND BINDING; MOLECULAR DYNAMICS; PHARMACOPHORE; ROOM TEMPERATURE; SIMULATION; STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; LIGANDS; MOLECULAR CONFORMATION; PIPERAZINES; RECEPTORS, OPIOID, DELTA; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0037433589     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja027644m     Document Type: Article

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