Jump to main content
Jump to site search

Issue 5, 2012
Previous Article Next Article

INPHARMA-based identification of ligand binding site in fragment-based drug design

Author affiliations

Abstract

In the fragment-based drug design approach, methods for rapid identification of the ligand-binding site are essential. The INPHARMA experiment, a ligand-observed NMR experiment based on the nuclear Overhauser effect, is tested here with fragment-like molecules and the glycogen phosphorylase enzyme that contain multiple binding sites. The results illustrate the potential of the method for the FBDD process and demonstrate that the INPHARMA experiment is particularly useful to study the binding specificity of the fragments and to assess the ligand binding mode in the presence of a reference ligand.

Graphical abstract: INPHARMA-based identification of ligand binding site in fragment-based drug design

Back to tab navigation

Publication details

The article was received on 07 Feb 2012, accepted on 14 Mar 2012 and first published on 16 Mar 2012


Article type: Concise Article
DOI: 10.1039/C2MD20035J
Citation: Med. Chem. Commun., 2012,3, 605-610
  •   Request permissions

    INPHARMA-based identification of ligand binding site in fragment-based drug design

    I. Krimm, Med. Chem. Commun., 2012, 3, 605
    DOI: 10.1039/C2MD20035J

Search articles by author

Spotlight

Advertisements