Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain.

ID: ALA1135960

Journal: Bioorg Med Chem Lett

Title: Electrostatic potential surfaces of 5-HT(3)R agonists suggest accessory cation-pi site adjacent to agonist binding domain.

Authors: Parihar HS, Kirschbaum KS.

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.

CiteXplore: 12217367

DOI: 10.1016/s0960-894x(02)00514-0

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