Article
Determination of binding site residues responsible for the subunit selectivity of novel marine-derived compounds on kainate receptors.
Molecular pharmacology - 1 Jun 2006
Sanders James M, Pentikäinen Olli T, Settimo Luca, Pentikäinen Ulla, Shoji Muneo, Sasaki Makoto, Sakai Ryuichi, Johnson Mark S, Swanson Geoffrey T
Abstract excerpt
Dysiherbaine (DH) and related molecules are high-affinity, subunit-selective kainate receptor (KAR) ligands originally isolated from a marine sponge. To elucidate why DH, an agonist, and MSVIII-19, a competitive antagonist, bind selectively to glutamate receptor (GluR) 5 but not to the KA2 KAR subunit, we used molecular dynamics simulations to generate binding models that were tested experimentally in radioligand...
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