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High-throughput Screening for Chemical Modulators of Post-transcriptionally Regulated Genes
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Rapid Compound Integrity Assessment for High-Throughput Screening Hit Triaging.

Wilson Z Shou1, Samuel W Gerritz1,2, David Harden1

  • 1Bristol-Myers Squibb, Princeton, NJ, USA.

SLAS Discovery : Advancing Life Sciences R & D
|May 14, 2020
PubMed
Summary
This summary is machine-generated.

This study introduces a novel method to assess compound integrity during high-throughput screening (HTS) concentration-response curve (CRC) analysis. This integrated approach accelerates hit validation and provides real-time insights into compound collection quality.

Keywords:
chemotype selectioncompound integrityhit follow-uphit triaging

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Area of Science:

  • Medicinal Chemistry
  • Analytical Chemistry
  • Drug Discovery

Background:

  • High-throughput screening (HTS) hits require validation, but compound integrity (identity and purity) is often unknown.
  • Assessing compound integrity post-assay delays drug discovery timelines due to reacquisition and lengthy analyses.
  • Degradation, polymerization, and precipitation can compromise compound integrity during storage.

Purpose of the Study:

  • To develop a novel approach for concurrent compound integrity assessment during HTS.
  • To expedite the evaluation of screening hits for medicinal chemists.
  • To provide real-time data on the integrity of the entire compound collection.

Main Methods:

  • Compound integrity and concentration-response curves (CRCs) were generated concurrently.
  • Assays were performed in parallel using two aliquots or serially from the original sample.
  • A high-speed ultra-high-pressure liquid chromatography-ultraviolet/mass spectrometric platform was utilized for rapid analysis (~2000 samples/instrument/week).

Main Results:

  • Compound integrity data became available simultaneously with CRC potency results.
  • The integrated approach significantly enhanced decision-making for hit follow-up and progression.
  • Real-time integrity data offered a representative snapshot of the compound collection's status.

Conclusions:

  • Concurrent compound integrity assessment streamlines the HTS workflow.
  • This novel method accelerates drug discovery by providing timely and reliable hit validation data.
  • The approach enhances the overall management and understanding of compound library quality.