Discovering New Natural Products Using Metabolomics-Based Approaches

de Medeiros, Lívia Soman; de Araújo Júnior, Moysés B.; Peres, Eldrinei G.; da Silva, José Carlos Ipuchima; Bassicheto, Milena Costa; Di Gioia, Giordanno; Veiga, Thiago André Moura; Koolen, Hector Henrique Ferreira

doi:10.1007/978-3-031-41741-2_8

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2024

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Cited by 4 publications

References 196 publications

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Nutrigenomics, Metabolomics, and Lipidomics in Probiotic Sciences

Singh,

Mal,

Kalra

et al. 2024

Probiotics as Live Biotherapeutics for Veterinary and Human Health, Volume 2

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Nutrigenomics, Metabolomics, and Lipidomics in Probiotic Sciences

Singh,

Mal,

Kalra

et al. 2024

Probiotics as Live Biotherapeutics for Veterinary and Human Health, Volume 2

View full text Add to dashboard Cite

The Molecules Gateway: A Homogeneous, Searchable Database of 150k Annotated Molecules from Actinomycetes

Simone,

Iorio,

Monciardini

et al. 2024

J. Nat. Prod.

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Natural products are a sustainable resource for drug discovery, but their identification in complex mixtures remains a daunting task. We present an automated pipeline that compares, harmonizes and ranks the annotations of LC-HRMS data by different tools. When applied to 7,400 extracts derived from 6,566 strains belonging to 86 actinomycete genera, it yielded 150,000 molecules after processing over 50 million MS features. The webbased Molecules Gateway provides a highly interactive access to experimental and calculated data for these molecules, along with the metadata related to extracts and producer strains. We show how the Molecules Gateway can be used to rapidly identify known hard to find microbial products, unreported analogs of known families and not yet described metabolites. The Molecules Gateway, which complements available repositories, contains annotated MS data, both acquired and computationally processed under an identical workflow, making it suitable for global analyses which reveal a large and untapped chemical diversity afforded by actinomycetes.

show abstract

The Molecules Gateway: a homogeneous, searchable database of 150k annotated molecules from Actinomycetes

Simone,

Iorio,

Monciardini

et al. 2024

Preprint

View full text Add to dashboard Cite

Natural products are a sustainable resource for drug discovery, but their identification in complex mixtures remains a daunting task. We present an automated pipeline that compares, harmonizes and ranks the annotations of LC-HRMS data by different tools. When applied to 7,400 extracts derived from 6,566 strains belonging to 86 actinomycete genera, it yielded 150,000 molecules after processing over 50 million MS features. The web-based Molecules Gateway provides a highly interactive access to experimental and calculated data for these molecules, along with the metadata related to extracts and producer strains. We show how the Molecules Gateway can be used to rapidly identify known hard to find microbial products, unreported analogs of known families and not yet described metabolites. The Molecules Gateway, which complements available repositories of annotated MS data, is experimentally and computationally homogeneous, and thus amenable to global analyses, which show a large and untapped chemical diversity afforded by actinomycetes.

show abstract

Discovering New Natural Products Using Metabolomics-Based Approaches

Cited by 4 publications

References 196 publications

Nutrigenomics, Metabolomics, and Lipidomics in Probiotic Sciences

Nutrigenomics, Metabolomics, and Lipidomics in Probiotic Sciences

The Molecules Gateway: A Homogeneous, Searchable Database of 150k Annotated Molecules from Actinomycetes

The Molecules Gateway: a homogeneous, searchable database of 150k annotated molecules from Actinomycetes

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