Discovery of Ligand-Efficient Scaffolds for the Design of Novel Uridine Nucleoside Ribohydrolase Inhibitors Using Fragment Screening.

Trichomoniasis is caused by the parasitic protozoan . The increasing prevalence of strains resistant to the current 5-nitroimidazole treatments creates the need for novel therapies. cannot synthesize purine and pyrimidine rings and requires salvage pathway enzymes to obtain them from host nucleosides.

NMR-Based Activity Assays for Determining Compound Inhibition, IC50 Values, Artifactual Activity, and Whole-Cell Activity of Nucleoside Ribohydrolases.

NMR spectroscopy is often used for the identification and characterization of enzyme inhibitors in drug discovery, particularly in the context of fragment screening. NMR-based activity assays are ideally suited to work at the higher concentrations of test compounds required to detect these weaker inhibitors. The dynamic range and chemical shift dispersion in an NMR experiment can easily resolve resonances from substrate, product, and test compounds.