Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data

Microbial metabolites play a critical role in regulating ecosystems, including the human body and its microbiota. However, understanding the physiologically relevant role of these molecules, especially through liquid chromatography tandem mass spectrometry (LC-MS/MS)-based untargeted metabolomics, poses significant challenges and often requires manual parsing of a large amount of literature, databases, and webpages. To address this gap, we established the Collaborative Microbial Metabolite Center knowledgebase (CMMC-KB), a platform that fosters collaborative efforts within the scientific community to curate knowledge about microbial metabolites. The CMMC-KB aims to collect comprehensive information about microbial molecules originating from microbial biosynthesis, drug metabolism, exposure-related molecules, food, host-derived molecules, and, whenever available, their known activities. Molecules from other sources, including host-produced, dietary, and pharmaceutical compounds, are also included. By enabling direct integration of this knowledgebase with downstream analytical tools, including molecular networking, we can deepen insights into microbiota and their metabolites, ultimately advancing our understanding of microbial ecosystems.

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Publication Details

Journal
bioRxiv (Cold Spring Harbor Laboratory)
Published
2026-01-29
DOI
https://doi.org/10.64898/2026.01.24.701521
Primary Topic
Metabolomics and Mass Spectrometry Studies
Type
article
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article

Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data

Fidele Tugizimana, Griffith C. Nguyen, Felipe Vásquez-Castro, Triantafyllos Kaloudis et al.
bioRxiv (Cold Spring Harbor Laboratory)
Metabolomics and Mass Spectrometry Studies
article

Community Curation of Microbial Metabolites Enables Biological Insights of Metabolomics Data

Fidele Tugizimana, Griffith C. Nguyen, Felipe Vásquez-Castro, Triantafyllos Kaloudis, Shirley M. Tsunoda, Andrés Cumsille, Sydney P. Thomas, Moysés de Araujo, Chambers C. Hughes, M. C. Wang, Phil Pope, Motseoa Lephatsi, Sofia Iliakopoulou, Anastasia Hiskia, Robert Konkel, Santosh Lamichhane, Sabina Leanti La Rosa, Harsha Gouda, Lívia Soman de Medeiros, Andrej Tekel, Julius Agongo, Sarolt Magyari, Claude Y. Hamany Djande, Ralph R. Torres, Mohamed S. Donia, Paulo Wender Portal Gomes, Helena Mannochio-Russo, Sunghoon Hwang, Laura‐Isobel McCall, Thiago André Moura Veiga, Shipei Xing, Anny Lam, Nicole E. Avalon, Marc G. Chevrette, Lerato Nephali, Kine Eide Kvitne, Lucía Cancelada, Alan K. Jarmusch, Giovanni Andrea Vitale, H. Mazur-Marzec, Martin Orságh, Hector H F Koolen, Victoria Deleray, Tomáš Pluskal, Mónica Monge-Loría, Vincent Charron-Lamoureux, Musiwalo Samuel Mulaudzi, Irina Koester, Sevasti-Kiriaki Zervou, Martijn van Faassen, Haoqi Nina Zhao, David J. Moore, Pieter C. Dorrestein, Donald Franklin, Crystal X. Wang, Mutsawashe B. Dzveta, Paolo Stincone, Daniel McDonald, Fernanda de Oliveira, Berenike C. Wagner, Ronald J. Ellis, Abubaker Patan, Neha Garg, Jennifer E. Iudicello, Ipsita Mohanty, Wilhan D. Goncalves Nunes, Andres Mauricio Caraballo-Rodriguez, Benjamin N. Ho, Rob Knight, Tammy Bui, Marilyn De Graeve
article en

Abstract

Microbial metabolites play a critical role in regulating ecosystems, including the human body and its microbiota. However, understanding the physiologically relevant role of these molecules, especially through liquid chromatography tandem mass spectrometry (LC-MS/MS)-based untargeted metabolomics, poses significant challenges and often requires manual parsing of a large amount of literature, databases, and webpages. To address this gap, we established the Collaborative Microbial Metabolite Center knowledgebase (CMMC-KB), a platform that fosters collaborative efforts within the scientific community to curate knowledge about microbial metabolites. The CMMC-KB aims to collect comprehensive information about microbial molecules originating from microbial biosynthesis, drug metabolism, exposure-related molecules, food, host-derived molecules, and, whenever available, their known activities. Molecules from other sources, including host-produced, dietary, and pharmaceutical compounds, are also included. By enabling direct integration of this knowledgebase with downstream analytical tools, including molecular networking, we can deepen insights into microbiota and their metabolites, ultimately advancing our understanding of microbial ecosystems.

bioRxiv (Cold Spring Harbor Laboratory)
University of California, Riverside (US), Georgia Institute of Technology (US), University Medical Center Groningen (NL), Scripps Institution of Oceanography (US), Simon Fraser University (CA), Princeton University (US), National Centre of Scientific Research "Demokritos" (GR), University of California, Irvine (US), University of Johannesburg (ZA), San Diego State University (US), Turku University Hospital (FI), Wisconsin Institutes for Discovery (US), University of California San Diego (US), University of Gdańsk (PL), National Institute of Environmental Health Sciences (US), Czech Academy of Sciences, Institute of Macromolecular Chemistry (CZ), Fundação de Amparo à Pesquisa do Estado do Amazonas (BR), Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry (CZ), EYDAP (Greece) (GR), Norwegian University of Life Sciences (NO), Universidade Federal do Amazonas (BR), Woods Hole Oceanographic Institution (US), University of Montana (US), University of Tübingen (DE), Universidade Federal de São Paulo (BR)
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Metabolomics and Mass Spectrometry Studies
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