CrystalsFirst offers advanced NMR services through a strategic integration with NexMR, leveraging ultrafast photo-hyperpolarized NMR via the photo-CIDNP technique. This cutting-edge method overcomes the classical sensitivity and throughput limitations of ligand-based NMR screening. Photo-CIDNP allows for direct, single-scan detection of weak protein–ligand interactions at low micromolar concentrations (as low as 5 µM ligand, 2 µM target) within seconds.
Using light-induced hyperpolarization, photo-CIDNP amplifies NMR signal intensity by up to 100-fold. Binding is detected via polarization quenching: when a ligand binds, its signal is selectively reduced due to faster relaxation rates in the bound state. This allows for rapid, non-invasive readouts with unparalleled speed and sensitivity.
CrystalsFirst and NexMR utilize a dedicated photo-CIDNP-compatible fragment library, and an automated flow-through setup enabling screening of up to 1,500 compounds per day. This method not only increases hit rates but also significantly reduces protein consumption and false positives common in conventional STD-NMR or T1ρ methods.
By combining SmartSoak®-enabled structural screening with CIDNP-NMR, we deliver robust, orthogonal hit validation and binding mode insights at unprecedented scale and speed – ideal for FBDD and early-stage SAR campaigns.