Literature DB >> 15974573

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

María L López-Rodríguez1, Bellinda Benhamú, Tania de la Fuente, Arantxa Sanz, Leonardo Pardo, Mercedes Campillo.   

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).

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Year:  2005        PMID： 15974573     DOI： 10.1021/jm050247c

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  13 in total

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7.  Investigation of the structure requirement for 5-HT₆ binding affinity of arylsulfonyl derivatives: a computational study.

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8.  A new serotonin 5-HT6 receptor antagonist with procognitive activity - Importance of a halogen bond interaction to stabilize the binding.

Authors:  Juan A González-Vera; Rocío A Medina; Mar Martín-Fontecha; Angel Gonzalez; Tania de la Fuente; Henar Vázquez-Villa; Javier García-Cárceles; Joaquín Botta; Peter J McCormick; Bellinda Benhamú; Leonardo Pardo; María L López-Rodríguez
Journal:  Sci Rep       Date:  2017-01-24       Impact factor: 4.379

9.  Novel N-Arylsulfonylindoles Targeted as Ligands of the 5-HT6 Receptor. Insights on the Influence of C-5 Substitution on Ligand Affinity.

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Journal:  Pharmaceuticals (Basel)       Date:  2021-06-01

Review 10.  Metabolic N-Dealkylation and N-Oxidation as Elucidators of the Role of Alkylamino Moieties in Drugs Acting at Various Receptors.

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Journal:  Molecules       Date:  2021-03-29       Impact factor: 4.411
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