Despite decades of bile acid research, diverse biological roles for bile acids have been
discovered recently due to developments in understanding the human microbiota. As …

Metabolic abnormalities lead to the dysfunction of metabolic pathways and metabolite
accumulation or deficiency which is well-recognized hallmarks of diseases. Metabolite …

Bile acids (BAs) mediate the crosstalk between human and microbial cells and influence
diseases including Clostridioides difficile infection (CDI). While bile salt hydrolases (BSHs) …

Abstract microbeMASST, a taxonomically informed mass spectrometry (MS) search tool,
tackles limited microbial metabolite annotation in untargeted metabolomics experiments …

Determining the structure and phenotypic context of molecules detected in untargeted
metabolomics experiments remains challenging. Here we present reverse metabolomics as …

Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …

Most processing of the human diet occurs in the small intestine. Metabolites in the small
intestine originate from host secretions, plus the ingested exposome and microbial …

Bacteria in the gastrointestinal tract produce amino acid bile acid amidates that can affect
host-mediated metabolic processes,,,,–; however, the bacterial gene (s) responsible for their …

Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Current methods for structure elucidation of small molecules rely on finding similarity with
spectra of known compounds, but do not predict structures de novo for unknown compound …