ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Abstract

The conformational analysis of two isomeric glutamic acid analogues cis and trans ACPD containing a cyclopentane ring, was carried out in an aqueous environment, by lH and 13C NMR spectroscopy, and molecular dynamics (MD) in water. These analogues interact on receptors of central nervous system (receptor metabotropic ACPD for the ligand trans ACPD and receptor ionotropic NMDA for the ligand cis ACPD) . This study show four conformational families I-IV with characteristic distances dl (αNH3+ - yCOO-) and d2 (αCOO- - YCOO-).