A three-dimensional pharmacophore model for 5-hydroxytryptamine<inf>6</inf> (5-HT<inf>6</inf>) receptor antagonists

María L. López-Rodríguez, Bellinda Benhamú, Tania De La Fuente, Arantxa Sanz, Leonardo Pardo, Mercedes Campillo

Research output: Contribution to journalArticleResearchpeer-review

87 Citations (Scopus)

Abstract

Forty-five structurally diverse 5-hydroxytryptamine6 receptor (5-HT6R) 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 Asp3.32, a hydrogen bond acceptor group interacting with Ser5.43 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 Phe6.52. © 2005 American Chemical Society.
Original languageEnglish
Pages (from-to)4216-4219
JournalJournal of Medicinal Chemistry
Volume48
DOIs
Publication statusPublished - 30 Jun 2005

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