Literature DB >> 12217367

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

Harish S Parihar1, Karen S Kirschbaum.   

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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Year:  2002        PMID: 12217367     DOI: 10.1016/s0960-894x(02)00514-0

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  1 in total

1.  Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficient.

Authors:  Jordi Muñoz-Muriedas; Samantha Perspicace; Nuria Bech; Salvatore Guccione; Modesto Orozco; F Javier Luque
Journal:  J Comput Aided Mol Des       Date:  2005-06       Impact factor: 3.686

  1 in total

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