microbeMASST: a taxonomically informed mass spectrometry search tool for microbial metabolomics data

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Zuffa, Simone ; Schmid, Robin ; Bauermeister, Anelize ; Gomes, Paulo Wender P. ; Caraballo-Rodriguez, Andres M. ; El Abiead, Yasin ; Aron, Allegra T. ; Gentry, Emily C. ; Zemlin, Jasmine ; Meehan, Michael J. ; Avalon, Nicole E. ; Cichewicz, Robert H. ; Buzun, Ekaterina ; Terrazas, Marvic Carrillo ; Hsu, Chia-Yun ; Oles, Renee ; Ayala, Adriana Vasquez ; Zhao, Jiaqi ; Chu, Hiutung ; Kuijpers, Mirte C. M. ; Jackrel, Sara L. ; Tugizimana, Fidele ; Nephali, Lerato Pertunia ; Dubery, Ian A. ; Madala, Ntakadzeni Edwin ; Moreira, Eduarda Antunes ; Costa-Lotufo, Leticia Veras ; Lopes, Norberto Peporine ; Rezende-Teixeira, Paula ; Jimenez, Paula C. ; Rimal, Bipin ; Patterson, Andrew D. ; Traxler, Matthew F. ; Pessotti, Rita de Cassia ; Alvarado-Villalobos, Daniel ; Tamayo-Castillo, Giselle ; Chaverri, Priscila ; Escudero-Leyva, Efrain ; Quiros-Guerrero, Luis-Manuel ; Bory, Alexandre Jean ; Joubert, Juliette ; Rutz, Adriano ; Wolfender, Jean-Luc ; Allard, Pierre-Marie ; Sichert, Andreas ; Pontrelli, Sammy ; Pullman, Benjamin S. ; Bandeira, Nuno ; Gerwick, William H. ; Gindro, Katia ; Massana-Codina, Josep ; Wagner, Berenike C. ; Forchhammer, Karl ; Petras, Daniel ; Aiosa, Nicole ; Garg, Neha ; Liebeke, Manuel ; Bourceau, Patric ; Kang, Kyo Bin ; Gadhavi, Henna ; de Carvalho, Luiz Pedro Sorio ; dos Santos, Mariana Silva ; Perez-Lorente, Alicia Isabel ; Molina-Santiago, Carlos ; Romero, Diego ; Franke, Raimo ; Bronstrup, Mark ; de Leon, Arturo Vera Ponce ; Pope, Phillip Byron ; La Rosa, Sabina Leanti ; La Barbera, Giorgia ; Roager, Henrik M. ; Laursen, Martin Frederik ; Hammerle, Fabian ; Siewert, Bianka ; Peintner, Ursula ; Licona-Cassani, Cuauhtemoc ; Rodriguez-Orduna, Lorena ; Rampler, Evelyn ; Hildebrand, Felina ; Koellensperger, Gunda ; Schoeny, Harald ; Hohenwallner, Katharina ; Panzenboeck, Lisa ; Gregor, Rachel ; O'Neill, Ellis Charles ; Roxborough, Eve Tallulah ; Odoi, Jane ; Bale, Nicole J. ; Ding, Su ; Damste, Jaap S. Sinninghe ; Li Guan, Xue ; Cui, Jerry J. ; Ju, Kou-San ; Silva, Denise Brentan ; Ribeiro Silva, Fernanda Motta ; da Silva, Gilvan Ferreira ; Koolen, Hector H. F. ; Grundmann, Carlismari ; Clement, Jason A. ; Mohimani, Hosein ; Broders, Kirk ; McPhail, Kerry L. ; Ober-Singleton, Sidnee E. ; Rath, Christopher M. ; McDonald, Daniel ; Knight, Rob ; Wang, Mingxun ; Dorrestein, Pieter C.

• Document type: Journal article
• Source: NATURE MICROBIOLOGY; v. 9, n. 2, p. 10-pg., 2024-02-01.

Abstract

microbeMASST, a taxonomically informed mass spectrometry (MS) search tool, tackles limited microbial metabolite annotation in untargeted metabolomics experiments. Leveraging a curated database of >60,000 microbial monocultures, users can search known and unknown MS/MS spectra and link them to their respective microbial producers via MS/MS fragmentation patterns. Identification of microbe-derived metabolites and relative producers without a priori knowledge will vastly enhance the understanding of microorganisms' role in ecology and human health. (AU)

• FAPESP's process: 20/02207-5 - Inventorying secondary metabolism applying metabolomic strategies: contribution to the Brazilian biodiversity valuation
• Grantee: Norberto Peporine Lopes
• Support Opportunities: BIOTA-FAPESP Program - Thematic Grants
• FAPESP's process: 19/03008-9 - Chemical investigation on marine actinomycetes extracts with potential cytotoxic activity in tumoral lines and insecticide activity on Aedes aegypti species
• Grantee: Eduarda Antunes Moreira
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 20/06430-0 - Combining modern methods of mass spectrometry and genome mining for the analysis of interactions between symbiotic microorganisms from Trachymyrmex colonies
• Grantee: Carlismari Oliveira Grundmann
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
• FAPESP's process: 15/17177-6 - Integrative approach on the sustainable prospection of marine natural products: from diversity to anticancer compounds
• Grantee: Leticia Veras Costa Lotufo
• Support Opportunities: BIOTA-FAPESP Program - Thematic Grants
• FAPESP's process: 22/12654-4 - Marine myxobacteria from the state of São Paulo as a source of protease inhibitors
• Grantee: Paula Christine Jimenez
• Support Opportunities: BIOTA-FAPESP Program - Regular Research Grants
• FAPESP's process: 18/24865-4 - New approaches in metabolomics: 3D Molecular cartography of ascidians based on LC-MS/MS data
• Grantee: Anelize Bauermeister
• Support Opportunities: Scholarships abroad - Research Internship - Post-doctor