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

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 \u27aryl\u27 interactions