Application of comparative molecular field analysis to dopamine D2 partial agonists

Bioorganic and Medicinal Chemistry

Volumn 7, Issue 11, 1999, Pages 2453-2456

  McGaughey, Georgia B ^a   Mewshaw, Richard E ^a  

^a PFIZER INC   (United States)

Author keywords

Agonists; Molecular modelling mechanics; Neurologically active compounds; Theoretical calculations

Indexed keywords

DOPAMINE 2 RECEPTOR STIMULATING AGENT;

ARTICLE; DRUG CONFORMATION; DRUG MECHANISM; DRUG RECEPTOR BINDING; DRUG STRUCTURE; ELECTRICITY; HYDROGEN BOND; MODEL; PHARMACOPHORE;

MODELS, MOLECULAR; RECEPTORS, DOPAMINE D2; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0033492030     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(99)00201-1     Document Type: Article

References (11)

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5. Mewshaw R.E.et al. Tetrahedron Lett. 54:1998;7081.
6. i values are for n=1. The values, to date, are unpublished although patents have been filed.
7. All computations were performed using MM3 as implemented in Macromodel 6.0. The program MM3(93) is available from the Quantum Chemistry Program Exchange, Department of Chemistry, University of Indiana, Bloomington, IN 47401.
8. Freeman, H. S.; McDermed, J. D. In Chemical Regulation of Biological Mechanisms; Creighton, A. M., Turner, S., Eds.; Royal Society of Chemistry: London, 1982; p 154.
9. McDermed, J. D.; Freeman, H. S.; Ferris, R. M. In Catacholamines: Basic and Clinical Frontiers; Usdin, E., Ed.; Pergamon: New York, 1979; Vol. 1, p 568.
10. Tripos Associates, Inc., 1699 Hanley Road, Suite 303, St. Louis, MO 63144.
11. 2 value.