Electrostatic Potential Surfaces of 5-HT3R Agonists Suggest Accessory Cation–π Site Adjacent to Agonist Binding Domain

Bioorganic & Medicinal Chemistry Letters
2002.0

Abstract

Electrostatic potential surface mapping of various aromatic ring systems contained in 5-HT(3)R agonists indicate that some agonists contain an aromatic moiety capable of a favorable cation-pi 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.

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