Quantum-chemical structure-affinity studies on kynurenic acid derivatives as Gly/NMDA receptor ligands

✍ Scribed by Juan Sebastian Gómez-Jeria; Luis Lagos-Arancibia

• Book ID: 101253967
• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 255 KB
• Volume: 71
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1999)71:6<505::aid-qua8>3.0.co;2-h

✦ Synopsis

A quantum-chemical structure᎐affinity relationship for kynurenic acid

Ž .

derivatives KA acting at the GlyrNMDA site is presented. The results of this study Ž . strongly suggest that these molecules bind to this site through three mechanisms: 1 a H Ž . bond between the N atom and an OH group of the receptor; 2 a ᎐ orbital interaction between the empty MOs of the aromatic ring of KA derivatives and occupied MOs of the Ž . receptor; and 3 an orbital interaction between the carboxylate group and an electronaccepting site of the receptor.