AI Article Synopsis
- The structural variety of natural products presents a great potential for discovering new drugs, but their complex nature makes isolation and screening difficult.
- A new mass spectrometry method combines untargeted metabolomics with high-resolution native mass spectrometry to quickly identify natural products that can bind to important protein targets.
- This approach allows researchers to directly screen complex natural product extracts for drug-like molecules in one step, streamlining the drug discovery process significantly.
Article Abstract
The structural diversity of natural products offers unique opportunities for drug discovery, but challenges associated with their isolation and screening can hinder the identification of drug-like molecules from complex natural product extracts. Here we introduce a mass spectrometry-based approach that integrates untargeted metabolomics with multistage, high-resolution native mass spectrometry to rapidly identify natural products that bind to therapeutically relevant protein targets. By directly screening crude natural product extracts containing thousands of drug-like small molecules using a single, rapid measurement, we could identify novel natural product ligands of human drug targets without fractionation. This method should significantly increase the efficiency of target-based natural product drug discovery workflows.
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| http://dx.doi.org/10.1021/jacs.1c10408 | DOI Listing |
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