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

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...

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Bibliographic Details
Main Author: Matteo Simone (1475968) (author)
Other Authors: Marianna Iorio (1475977) (author), Paolo Monciardini (1475971) (author), Massimo Santini (32134) (author), Niccolò Cantù (19950877) (author), Arianna Tocchetti (252368) (author), Stefania Serina (19950880) (author), Cristina Brunati (1475974) (author), Thomas Vernay (19950883) (author), Andrea Gentile (16838135) (author), Mattia Aracne (19950886) (author), Marco Cozzi (19950889) (author), Justin J. J. van der Hooft (6904412) (author), Margherita Sosio (531104) (author), Stefano Donadio (774816) (author), Sonia I. Maffioli (1475965) (author)
Published: 2024
Subjects:
Biochemistry
Genetics
Molecular Biology
Biotechnology
Biological Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Information Systems not elsewhere classified
yet described metabolites
highly interactive access
find microbial products
complex mixtures remains
complements available repositories
86 actinomycete genera
566 strains belonging
actinomycetes natural products
400 extracts derived
150k annotated molecules
producer strains
yielded 150
unreported analogs
sustainable resource
searchable database
molecules gateway
metadata related
known families
identical workflow
hrms data
global analyses
drug discovery
different tools
daunting task
computationally processed
calculated data
automated pipeline
000 molecules
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