High-throughput experimentation (HTE) is a well-proven tool that allows for the set-up, execution, and analysis of many, carefully chosen, reactions in parallel with less material and effort, per experiment, than conventional singleton experimentation. HTE is a data-rich technique that results in a wealth of information that can be used as the foundation for rapid decision making, which is critical to advancing medicinal chemistry projects.  The technique is well-established in biology with the use of high-density microtiter plate arrays being the standard for endeavors such as high-throughput compound screening. In contrast, until around two decades ago, HTE had not been as thoroughly implemented in chemical synthesis, new reaction discovery, and optimization. While experimentation in 96-well plate format is now common, higher density plate arrays, such as those used in biology, are still seldom implemented.<br/><br/>Drug discovery organizations have a growing need to shorten design-make-test-analyze (DMTA) cycle times and access new chemical matter in more efficient and environmentally conscious ways. In this context, HTE can be used for reaction discovery to help reduce the number of steps in a synthetic route, therefore allowing for faster access to target molecules. The ability to scan many reagent combinations in parallel can also lend itself to serendipitous reaction discovery, though many discoveries are made through rational design. In addition, the HTE workflow can also be used to synthesize a large number of compounds in parallel, on small scale, while being fully integrated with biological assays – a platform we call Direct to Biology.<br/><br/>At Janssen, we have recently undertaken the ambitious project of building a brand new HTE group and laboratory from the ground up. In this presentation, we want to provide an account of our journey through this challenging yet rewarding process. From the outset, the vision for our HTE group within the Global Discovery Chemistry department has been the implementation and championing of parallel capabilities and automation to drive faster, more efficient DMTA cycles, while enabling individual medicinal chemists to integrate these tools into their everyday research. The presentation will also cover our efforts in democratizing HTE within our department and some examples of how medicinal chemists have used this technology to solve chemistry challenges and accelerate programs.

High-throughput experimentation to accelerate modality agnostic drug discovery

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ACS Spring 2023

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