Title

Electrostatic potential surfaces of 5-HT3R agonists suggest accessory cation-p site adjacent to agonist binding domain

Document Type

Article

Publication Date

2002

Abstract

Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT3R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-p interaction next to the e-face of pyridine (or its bioisostere). A pharmacophore model has been proposed based on superimposition of two distinct 'aryl' interactions.

Publication Title

Bioorganic and Medicinal Chemistry Letters

Volume

12

Issue

19

First Page

2743

Last Page

2747

Comments

This article was published in Bioorganic and Medicinal Chemistry Letters, Volume 12, Issue 19, Pages 2743-2747.

The published version is available at http://dx.doi.org/10.1016/S0960-894X(02)00514-0.

Copyright © 2002 Elsevier.

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