期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 143, 期 50, 页码 21379-21387出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.1c10408
关键词
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资金
- Australian Research Council [DP190103298, FT200100798]
- Bioanalytical Mass Spectrometry Facility and Electron Microscope Unit of the UNSW Mark Wainwright Analytical Centre
- Australian Research Council [FT200100798] Funding Source: Australian Research Council
The new method combines mass spectrometry with multistage, high-resolution native mass spectrometry to rapidly identify natural products that bind to therapeutically relevant protein targets, significantly increasing the efficiency of target-based natural product drug discovery workflows.
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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