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J Med Chem. 2005 Jun 30;48(13):4216-9.

A three-dimensional pharmacophore model for 5-hydroxytryptamine6 (5-HT6) receptor antagonists.

Author information

1
Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense, E-28040 Madrid, Spain. mluzlr@quim.ucm.es

Abstract

Forty-five structurally diverse 5-hydroxytryptamine(6) receptor (5-HT(6)R) antagonists were selected to develop a 3D pharmacophore model with the Catalyst software. The structural features for antagonism at this receptor are a positive ionizable atom interacting with Asp(3.32), a hydrogen bond acceptor group interacting with Ser(5.43) and Asn(6.55), a hydrophobic site interacting with residues in a hydrophobic pocket between transmembranes 3, 4, and 5, and an aromatic-ring hydrophobic site interacting with Phe(6.52).

PMID:
15974573
DOI:
10.1021/jm050247c
[Indexed for MEDLINE]

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