Computational metabolomics reveals overlooked chemodiversity of alkaloid scaffolds in Piper fimbriulatum.

ABSTRACT: Plant specialized metabolites play key roles in diverse physiological processes and ecological interactions. Identifying structurally novel metabolites, as well as discovering known compounds in new species, is often crucial for answering broader biological questions. The Piper genus (Piperaceae family) is known for its special phytochemistry and has been extensively studied over the past decades. Here, we investigated the alkaloid diversity of Piper fimbriulatum, a myrmecophytic plant native to Central America, using a metabolomics workflow that combines untargeted LC-MS/MS analysis with a range of recently developed computational tools. Specifically, we leverage open MS/MS spectral libraries and metabolomics data repositories for metabolite annotation, guiding isolation efforts toward st

SUBMITTER: Damiani T 

PROVIDER: S-EPMC11886945 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature