We demonstrate that structure determination by powder diffraction (SDPD) can be performed much more readily than is commonly believed, providing a new stream of conformational data for our chemistry design team.
Using the Conformetrix technology, we show how a series of drug molecules is likely to be mimicking the shape of a native peptide ligand. This work illustrates how scaffold-hopping from peptides to drugs can be readily achieved.
Here we detail how we measure ligand conformetrics using NMR and establish their relationship to the target-bound conformation. These breakthroughs lie at the heart of the productivity of our drug discovery engine.