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NMR Reporter Screening for the Detection of High‐Affinity Ligands
Author(s) -
Jahnke Wolfgang,
Floersheim Philipp,
Ostermeier Christian,
Zhang Xiaolu,
Hemmig Rene,
Hurth Konstanze,
Uzunov Doncho P.
Publication year - 2002
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20020916)41:18<3420::aid-anie3420>3.0.co;2-e
Subject(s) - ligand (biochemistry) , chemistry , stereochemistry , reporter gene , biochemistry , receptor , gene , gene expression
Binding is good, displacing is better . By adding a weakly binding reporter ligand to a mixture of protein and test compounds, NMR screening can identify strongly binding ligands by observing the displacement of the reporter ligand. For example, NMR screening identified, as a reporter ligand, a small fragment, 2‐acetylbenzofuran ( 1 , gray skeleton), which binds to the active site of 3 α ‐HSD. A molecular model of the complex between 3 α ‐HSD and 1 is shown.