Harsha Gouda

Polyethylene glycol in human biofluids can mark drug exposure rather than contamination; it is oxidized to acid metabolites and appears in 2.3% of public metabolomics files.

The paper identifies alkamines as a previously hidden class of metabolites formed via reductive amination, revealing significant gaps in metabolomics and drug metabolism understanding.

The paper systematically extracts and catalogs acylcarnitine metabolites from multiple repositories, identifying previously unknown carnitines and providing a resource for further metabolic research.

The paper identifies microbial bile acid conjugation as a drug-activating function for 5-ASA, revealing its therapeutic relevance through metabolomics analysis.

This study maps conjugated metabolites by analyzing MS/MS spectra from public repositories, identifying potential conjugation events and providing a resource for structural discovery.

The paper introduces microbiomeMASST, a metadata network graph linking metabolites across datasets, enabling cross-study analysis of microbial metabolites and their biological context.

The paper introduces a collaborative platform for curating microbial metabolite knowledge to enhance metabolomics data interpretation.

The paper uses synthetic multiplexing to annotate uncharacterized metabolites, identifying ibuprofen-carnitine as a metabolite linked to muscle toxicity.