Rationally minimizing natural product libraries using mass spectrometry.

ABSTRACT: Natural products are a critical source of novel chemotypes for drug discovery. However, the implementation of natural product extract libraries in high throughput screening is hampered by natural product structural redundancy and potential for bioactive re-discovery. This challenge and large library sizes drastically increase the time and cost during initial high throughput screens. To address these limitations, we developed a method that leverages liquid chromatography-tandem mass spectrometry spectral similarity to dramatically reduce natural product library size, with minimal bioactive loss, and applied this to a collection of fungal extracts. Importantly, this method also afforded increased bioassay hit rates against microbial targets, with broad applicability across assays and natural

SUBMITTER: Ness M 

PROVIDER: S-EPMC11915828 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature