KIT | KIT-Bibliothek | Impressum | Datenschutz

Molecular Dynamics Investigation of gluazo, a Photo-Switchable Ligand for the Glutamate Receptor GluK2

Guo, Yanan; Wolter, Tino; Kubar, Tomas; Sumser, Martin; Trauner, Dirk; Elstner, Marcus

Abstract:
Photochromic ligands (PCLs), defined as photoswitchable molecules that are able to endow native receptors with a sensitivity towards light, have become a promising photo-pharmacological tool for various applications in biology. In general, PCLs consist of a ligand of the target receptor covalently linked to an azobenzene, which can be reversibly switched between two configurations upon light illumination. Gluazo, as a PCL that targets excitatory amino acid receptors, in its dark-adapted trans iso-form was characterized to be a partial agonist of the kainate glutamate receptor GluK2. Application of UV light leads to the formation of the cis form, with remarkedly reduced affinity towards GluK2. The mechanism of the change of ligand affinity induced by the photoisomerization was unresolved. The presented computational study explains how the somerization of such a PCL affects the structural changes in the target receptor that lead to its activation.

Open Access Logo


Volltext §
DOI: 10.5445/IR/1000049768
Originalveröffentlichung
DOI: 10.1371/journal.pone.0135399
Scopus
Zitationen: 4
Web of Science
Zitationen: 2
Coverbild
Zugehörige Institution(en) am KIT Institut für Physikalische Chemie (IPC)
Publikationstyp Zeitschriftenaufsatz
Jahr 2015
Sprache Englisch
Identifikator ISSN: 1932-6203
urn:nbn:de:swb:90-497681
KITopen-ID: 1000049768
Erschienen in PLOS ONE
Band 10
Heft 8
Seiten e0135399
Bemerkung zur Veröffentlichung Gefördert durch den KIT-Publikationsfonds
Nachgewiesen in Web of Science
Scopus
KIT – Die Forschungsuniversität in der Helmholtz-Gemeinschaft
KITopen Landing Page