Doctoral thesis
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English

Development of Software Platforms for Annotation and Dereplication of Peptidic Natural Products

Defense date2020-11-18
Abstract

Peptidic natural products (PNPs) and non ribosomal peptides (NRPs) are chemical compounds produced by living organisms. These peptides often exhibit interesting bioactivities. In this thesis I present a collection of innovative bioinformatic platforms dedicated to PNPs with the aim of facilitating the structural analysis of these compounds, especially for MS experiments. First, I introduce rBAN, a retro-biosynthesis tool mainly dedicated to the monomeric annotation of NRP chemical structures. Secondly, I present the KFP application, a straightforward program for NRP chemical formula detection and MS peak annotation, which implements a prediction method based on the Kendrick mass defect. Lastly, the thesis culminates with NRPro, a new platform for the MS/MS analysis of PNPs through automatic annotation and dereplication. These three tools were integrated in the Norine database, the only resource that is exclusively dedicated to NRPs.

Citation (ISO format)
RICART ALTIMIRAS, Emma. Development of Software Platforms for Annotation and Dereplication of Peptidic Natural Products. Doctoral Thesis, 2020. doi: 10.13097/archive-ouverte/unige:147481
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Creation18/01/2021 09:46:00
First validation18/01/2021 09:46:00
Update time04/04/2025 13:14:33
Status update19/03/2024 15:09:00
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