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.
|Journal||Journal of Medicinal Chemistry|
|Publication status||Published - 30 Jun 2005|