ArticleAnalytica chimica acta2022
Structure similarity and molecular networking analysis for the discovery of polyphenol biotransformation products of gut microbes.
Article in Analytica chimica acta, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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4 citing papers in PubMed.
- Comprehensive Identification of the Chemical Components in the Classical Prescription Shashen Maidong Decoction Based on UPLC-Q-Orbitrap MS and Molecular Networking.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Probiotic-Plant Bioactive Synergy in Gut Health: Mechanisms, Antimicrobial Activity, and Translational Challenges.Nutrients · 2026Review
- Molecular Structure Discovery for Untargeted Metabolomics Using Biotransformation Rules and Global Molecular Networking.Analytical chemistry · 2025Article
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Abstract
Intestinal bacteria can metabolize polyphenols into highly bioavailable derivatives, which provide potential health-promoting effects to the host. However, the metabolic pathways and related products in this process are still largely unclear. Polyphenols are generally characterized by the presence of many phenolic structural units, which makes it possible to explore correlations among compounds based on similar molecular networks. In this study, we developed a standard-oriented/database-assisted molecular networking (SODA-MN) method for iterative compound annotation analysis to explore the metabolic profiles of polyphenol-rich black raspberry extract metabolized by representative gut bacteria. Starting from a group of polyphenol metabolites, the SODA-MN method predicted the possible polyphenol derivatives by adding or deducting common biotransformation groups and iterative annotating of structure similarity based on fragmentation spectra. Our results showed that 48 polyphenol derivatives in the first round of analysis alone (fragmentation match≥5, spec
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