Automated high-throughput RP-HPLC-MS and SFC-MS analytical and purification platforms to support drug discovery

In recent years, the need to accelerate drug discovery processes in the pharmaceutical industry has revived the interest of implementing automated workflows, allowing the simultaneous processing of multiple samples on global processes that are referred as High-Throughput Purification (HTP). In this work, SAPIO Laboratory Information Management System (SAPIO LIMS^SM) has been customized at the HTP laboratories of Janssen R&D to accommodate the needs of global purification groups on several automated HTP workflows, integrating Analytical Studio™ data processing tool on multiple steps. Herein we describe the workflow details from crude analysis via RP-LC-MS or SFC-MS systems to sample redissolution and delivery to Compound Logistics (CL) in tubes ready for assay plate preparation. This includes robotic platforms to streamline sample handling and automation tools to facilitate chromatographic and Nuclear Magnetic Resonance (NMR) analyses. The combination of Analytical Studio^TM and the SAPIO LIMS^SM has increased the productivity of Janssen HTP teams since 2020, having a big impact on reducing the Design-Make-Test-Analyze (DMTA) cycles. To the best of our knowledge, this is the first time that a complete HTP workflow with a LIMS is being reported, including RP-HPLC and/or SFC, High-Throughput Nuclear Magnetic Resonance (HT-NMR), redissolution and submission as DMSO solutions of registered compounds to CL, ready for biological assay distribution.