Direct STD NMR Identification of β‐Galactosidase Inhibitors from a Virtual Dynamic Hemithioacetal System

Resolving complex systems: The formation of a dynamic hemithioacetal system and its application toward the discovery of β-galactosidase inhibitors were successfully investigated. The designed dynamic system, which has a virtual character in neutral aqueous media, was subjected to a direct in situ identification of the best inhibitors by 1H STD NMR spectroscopy (ONPG: o-nitrophenyl-β-galactopyranoside).