Application of Acoustic Mist Ionisation MS to rapidly identify hits with undesirable mechanisms of action in HTS outputs

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Speaker:
Dr Rachel Moore

Abstract

The hit outputs of high-throughput screening campaigns routinely contain false positive results driven by undesirable mechanisms of action. Pursuit of these spurious actives can often result in
project delays with considerable consumption of time and resource. Utilising Acoustic-Mist Ionisation MS (AMI-MS) we’ve developed two direct readout, high throughput triaging assays capable of identifying compounds acting by two such undesired mechanisms; redox cycling and metal contamination. AMI-MS uses acoustic energy to fire nanolitre volumes directly into the mass spectrometer, allowing multiple ion species to be measured rapidly and simultaneously. Our novel methodologies enable identification and characterisation of specific metal ions using metal chelators, and measure the oxidation of TCEP as a readout of redox cycling. Applying these assays
we have rapidly profiled tens of thousands of samples for multiple projects progressing through the AstraZeneca HTS portfolio. These outputs have revealed a number of projects where the hit rate had
been significantly enriched with metal contaminated or redox cycling compounds. Incorporating these assays into our HTS cascades has facilitated more rapid delivery of high quality and cleaner hit
chemistry to project teams, accelerating the identification of robust lead compounds.
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