Section 13
Chapter 12,352

New ligands with affinity for the alpha4beta2 subtype of nicotinic acetylcholine receptors. Synthesis, receptor binding, and 3D-QSAR modeling

Audouze, K.; Nielsen, E.Østergaard.; Olsen, G.M.; Ahring, P.; Jørgensen, T.Dyhring.; Peters, D.; Liljefors, T.; Balle, T.

Journal of Medicinal Chemistry 49(11): 3159-3171


ISSN/ISBN: 0022-2623
PMID: 16722635
DOI: 10.1021/jm058058h
Accession: 012351002

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A new series of piperazines, diazepanes, diazocanes, diazabicyclononanes, and diazabicyclodecanes with affinity for the alpha(4),beta(2) subtype of nicotinic acetylcholine receptors were synthesized on the basis of results from a previous computational study. A predictive 3D-QSAR model was developed using the GRID/GOLPE approach (R-2) 0.94, Q(2)=0.83, SDEP=0.34).

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