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

Details

Serval ID
serval:BIB_AE3479B45287
Type
Article: article from journal or magazin.
Collection
Publications
Institution
Title
Automatic Annotation and Dereplication of Tandem Mass Spectra of Peptidic Natural Products.
Journal
Analytical chemistry
Author(s)
Ricart E., Pupin M., Müller M., Lisacek F.
ISSN
1520-6882 (Electronic)
ISSN-L
0003-2700
Publication state
Published
Issued date
15/12/2020
Peer-reviewed
Oui
Volume
92
Number
24
Pages
15862-15871
Language
english
Notes
Publication types: Journal Article ; Research Support, Non-U.S. Gov't
Publication Status: ppublish
Abstract
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.
Keywords
Automation, Biological Products/analysis, Molecular Structure, Particle Size, Peptides/analysis, Software, Surface Properties, Tandem Mass Spectrometry
Pubmed
Web of science
Open Access
Yes
Create date
26/11/2020 22:53
Last modification date
16/04/2024 6:12
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