Binding-driven reactivity attenuation enables NMR identification of selective drug candidates for nucleic acid targets

Abstract

NMR spectroscopy could be a robust and reliable method for binding detection in drug discovery, but DNA/RNA targets remain challenging to analyze. Here, the authors explore the perturbation of the ligand reactivity caused by complex formation as a binding indicator to identify best binders within mixtures of significant complexity, providing a conceptually different reactivity-based alternative within NMR screening methods.