Automatic Annotation and Dereplication of Tandem Mass Spectra of Peptidic Natural Products.

Détails

ID Serval
serval:BIB_AE3479B45287
Type
Article: article d'un périodique ou d'un magazine.
Collection
Publications
Institution
Titre
Automatic Annotation and Dereplication of Tandem Mass Spectra of Peptidic Natural Products.
Périodique
Analytical chemistry
Auteur⸱e⸱s
Ricart E., Pupin M., Müller M., Lisacek F.
ISSN
1520-6882 (Electronic)
ISSN-L
0003-2700
Statut éditorial
Publié
Date de publication
15/12/2020
Peer-reviewed
Oui
Volume
92
Numéro
24
Pages
15862-15871
Langue
anglais
Notes
Publication types: Journal Article ; Research Support, Non-U.S. Gov't
Publication Status: ppublish
Résumé
The various bioactivity types and potencies of peptidic natural products (PNPs) are of high interest for the development of new drugs. In particular, the intrinsic antibiotic properties of PNPs appear essential to combat antimicrobial resistance that is currently threatening the world. The first steps in dereplication and characterization of PNPs often involve tandem mass spectrometry (MS/MS). However, such structurally complex peptides challenge the interpretation of MS/MS results. Only a few software solutions are dedicated to PNP analysis but with a mutually exclusive focus on dereplication or annotation. Hence, key functionalities such as automatic peak annotation or statistically validated scoring systems to support the characterization/identification processes are missing. Here, we present NRPro, a new MS/MS analysis platform that overcomes some limitations of the existing software and provides a comprehensive toolset for both automatic annotation and dereplication of PNPs.
Mots-clé
Automation, Biological Products/analysis, Molecular Structure, Particle Size, Peptides/analysis, Software, Surface Properties, Tandem Mass Spectrometry
Pubmed
Web of science
Open Access
Oui
Création de la notice
26/11/2020 23:53
Dernière modification de la notice
16/04/2024 7:12
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