Case Studies NMR

A successful collaboration with Novartis on automated analysis of ligand-observed 1H-19F NMR binding data for fragment based lead generation

Several groups in Novartis use NMR binding assays to find and validate hits during the early stages of drug discovery. They use ligand-observed NMR experiments such as STD, T1ρ, and CPMG to identify library compounds that interact with a target protein. Until a few years ago, the analysis of a high number of complex spectra was performed largely manually and therefore represented a limiting step in hit generation campaigns.

Department of Chemistry – University of Wisconsin-Madison

“In general the students also really appreciate that once the program is installed they will be able to use it not just for one semester but throughout the rest of their studies, including research, and for different classes. This saves them time of re-learning the basic usage when working on new assignments (after organic they should have a fairly solid base).” Dr. Heike Hofstetter – Asst Dir NMR Lab – Department of Chemistry – University of Wisconsin-Madison