Abstract
Quinone oxidoreductase 2 (NQO2) binds the prodrug tretazicar (also known as CB1954, 5-(aziridin-1-yl)-2,4-dinitrobenzamide), which exhibits a profound antitumor effect in human cancers when administered together with caricotamide. X-ray structure determination allowed for two possible orientations of the ligand. Here we describe a new NMR method, SALMON (solvent accessibility, ligand binding, and mapping of ligand orientation by NMR spectroscopy), based on waterLOGSY to determine the orientation of a ligand bound to a protein by mapping its solvent accessibility, which was used to unambiguously determine the orientation of CB1954 in NQO2.
Originalsprache | Englisch |
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Zeitschrift | Journal of Medicinal Chemistry |
Jahrgang | 51 |
Ausgabenummer | 1 |
Seiten (von - bis) | 1-3 |
Seitenumfang | 3 |
ISSN | 0022-2623 |
DOIs | |
Publikationsstatus | Veröffentlicht - 10.01.2008 |
Strategische Forschungsbereiche und Zentren
- Forschungsschwerpunkt: Infektion und Entzündung - Zentrum für Infektions- und Entzündungsforschung Lübeck (ZIEL)