GNPS Feature-Based Molecular Networking as a Tool to Visualize Metabolic Toxicity from Drug-Drug Interactions: A Case Study with Methamphetamine and Ethanol.

ABSTRACT: Feature-Based Molecular Networking (FBMN) on the Global Natural Products Social Molecular Networking (GNPS) platform offers a transformative framework for visualizing drug-drug interaction (DDI)-driven metabolic reprogramming that conventional analytical approaches fail to capture. Here, we demonstrate its application as a novel strategy to resolve complex metabolic alterations arising from DDI-induced toxicity. Using FBMN-integrated MS² mapping, we established a proof-of-concept workflow to elucidate large-scale metabolic transitions and pathway rewiring. As a model system, co-administration of methamphetamine (MA) and ethanol (EtOH)─a combination known to potentiate toxicity─was analyzed through liquid chromatography-quadrupole time-of-flight mass spectrometry. Merging MS

SUBMITTER: Kim M 

PROVIDER: S-EPMC12809649 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature