Software-aided approach to investigate peptide structure and metabolic susceptibility of amide bonds in peptide drugs based on high resolution mass spectrometry

PloS One
Tatiana RadchenkoIsmael Zamora

Abstract

Interest in using peptide molecules as therapeutic agents due to high selectivity and efficacy is increasing within the pharmaceutical industry. However, most peptide-derived drugs cannot be administered orally because of low bioavailability and instability in the gastrointestinal tract due to protease activity. Therefore, structural modifications peptides are required to improve their stability. For this purpose, several in-silico software tools have been developed such as PeptideCutter or PoPS, which aim to predict peptide cleavage sites for different proteases. Moreover, several databases exist where this information is collected and stored from public sources such as MEROPS and ExPASy ENZYME databases. These tools can help design a peptide drug with increased stability against proteolysis, though they are limited to natural amino acids or cannot process cyclic peptides, for example. We worked to develop a new methodology to analyze peptide structure and amide bond metabolic stability based on the peptide structure (linear/cyclic, natural/unnatural amino acids). This approach used liquid chromatography / high resolution, mass spectrometry to obtain the analytical data from in vitro incubations. We collected experimental data...Continue Reading

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Citations

Mar 26, 2020·Rapid Communications in Mass Spectrometry : RCM·Tatiana RadchenkoIsmael Zamora
Jul 8, 2020·Journal of Peptide Science : an Official Publication of the European Peptide Society·Simone EspositoEdith Monteagudo
Sep 29, 2018·Molecular Biotechnology·Angelica Jimenez-Rosales, Miriam V Flores-Merino
Mar 13, 2019·Scientific Reports·Simone SchadtNicole A Kratochwil
Mar 7, 2021·Marine Drugs·Qi-Ting ZhangYu-Fen Zhao

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Software Mentioned

MASCOT
GutenTag
SEQUEST
Metasite
Mass
SitePrediciting
SHOP
PEAKS
Scaffold
PoPS

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