iScience | VOL. 25

Metabolomics-based phenotypic screens for evaluation of drug synergy via direct-infusion mass spectrometry.

Publication Date May 20, 2022


Drugs used in combination can synergize to increase efficacy, decrease toxicity, and prevent drug resistance. While conventional high-throughput screens that rely on univariate data are incredibly valuable to identify promising drug candidates, phenotypic screening methodologies could be beneficial to provide deep insight into the molecular response of drug combination with a likelihood of improved clinical outcomes. We developed a high-content metabolomics drug screening platform using stable isotope-tracer direct-infusion mass spectrometry that informs an algorithm to determine synergy from multivariate phenomics data. Using a cancer drug library, we validated the drug screening, integrating isotope-enriched metabolomics data and computational data mining, on a panel of prostate cell lines and verified the synergy between CB-839 and docetaxel both invitro (three-dimensional model) and invivo. The proposed unbiased metabolomics screening platform can be used to rapidly generate phenotype-informed datasets and quantify synergy for combinatorial drug discovery.

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Conventional High-throughput Screens
Direct-infusion Mass Spectrometry
Computational Data Mining
Prevent Drug Resistance
Univariate Data
High-content Drug Screening
Screening Platform
Phenotypic Screening
Drug Screening
High-content Drug

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