SALMON: Solvent Accessibility, Ligand binding, and Mapping of ligand Orientation by NMR Spectroscopy | Zendy

Christian Ludwig | Zendy; Paul Michiels | Zendy; Xiaoqiu Wu | Zendy; K.L. Kavanagh | Zendy; Ewa S. Pilka | Zendy; Anna Jansson | Zendy; Udo Oppermann | Zendy; Ulrich L. Günther | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

SALMON: Solvent Accessibility, Ligand binding, and Mapping of ligand Orientation by NMR Spectroscopy

Author(s) -

Christian Ludwig,

Paul Michiels,

Xiaoqiu Wu,

K.L. Kavanagh,

Ewa S. Pilka,

Anna Jansson,

Udo Oppermann,

Ulrich L. Günther

Publication year - 2007

Publication title -

journal of medicinal chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.01

H-Index - 261

eISSN - 1520-4804

pISSN - 0022-2623

DOI - 10.1021/jm701020f

Subject(s) - chemistry , ligand (biochemistry) , nuclear magnetic resonance spectroscopy , solvent , stereochemistry , two dimensional nuclear magnetic resonance spectroscopy , orientation (vector space) , spectroscopy , crystallography , biochemistry , receptor , geometry , physics , mathematics , quantum mechanics

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.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research