Structure Based Drug Discovery (SBDD) is highly successful with protein targets and an attractive avenue to drug RNA. To realize the so far underused potential of RNA SBDD, we will use machine learning to automate solution NMR, a technology particularly suited to cope with the flexible nature of RNA. This will overcome current slow manual procedures and place ZoBio as the dominant service provider in RNA SBDD.We will establish an automated pipeline enabling structure-based drug discovery (SBDD) using NMR for RNA targets. We will deliver optimized software capable of using a priori knowledge of a 3D RNA structure and a minimal number of NMR experiments to determine the structure of RNA–ligand complexes. Machine learning-based NMR spectrum analysis will be the disruptive technology. The automated workflow will yield complex structures fast enough to seamlessly integrate them into the SBDD process.
