title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain.
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.
authors.affiliation: Department of Basic Pharmaceutical Sciences, College of Pharmacy, The University of Louisiana at Monroe, Monroe, LA 71209, USA.
authors.forename: Harish S
authors.initials: HS
authors.lastname: Parihar
authors.forename: Karen S
authors.initials: KS
authors.lastname: Kirschbaum
mesh_terms: D001665:Binding Sites; D004563:Electrochemistry; D004578:Electron Spin Resonance Spectroscopy; D006146:Guanidines; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008968:Molecular Conformation; D011725:Pyridines / Q000737:chemistry; D011758:Pyrroles / Q000737:chemistry; D011985:Receptors, Serotonin / Q000737:chemistry*; D044406:Receptors, Serotonin, 5-HT3; D017366:Serotonin Receptor Agonists / Q000737:chemistry*
chemical_list: D006146:Guanidines; D011725:Pyridines; D011758:Pyrroles; D011985:Receptors, Serotonin; D044406:Receptors, Serotonin, 5-HT3; D017366:Serotonin Receptor Agonists