Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/25935

TitleNMR and molecular modelling studies on elastase inhibitor-peptides for wound management
Author(s)Barros, Sandra Cerqueira
Louro, Ricardo O.
Micaelo, N. M.
Martins, José A.
Marcos, João Carlos
Paulo, Artur Cavaco
KeywordsElastase inhibitor-peptides
SLPI
2D-NMR
Molecular docking
Phosphorylation
Issue dateOct-2013
PublisherElsevier
JournalReactive and Functional Polymers
Abstract(s)Proteases play an important and critical role in the physiological process of wound repair. However, excessive and unregulated release of proteolytic enzymes (e.g., elastase) mediates abnormal degradation of healthy tissues, which leads to inflammatory disorders such as chronic wounds. Thus, it is of therapeutic interest to develop novel synthetic inhibitor-peptides of elastase, which can restore the balance between the free enzyme and the endogenous inhibitors in chronic wounds. In previous works, we have reported two different drug delivery systems to release novel elastase inhibitors to the wound site. In both systems synthetic peptides (KRCCPDTCGIKCL-Pep4 and KRMMPDTMGIKML-Pep4M) based on the primary structure of the endogenous elastase inhibitor, secretory leucocyte protease inhibitor, were used as active material. Phosphorylation of the reported peptides prompts significant structural differences, which reflects in distinct inhibitory capacity towards elastase. These structural modifications were prompted by electrostatic interactions and hydrogen bonds established from the peptide phosphoresidue. The current study was also extended to another synthetic peptide (WCTASVPPQCY-PepBBI) that is based on the reactive loop of another elastase inhibitor, the Bowmen-Birk inhibitor. PepBBI, phosphorylated and non-phosphorylated, displays similar behaviour to Pep4 and Pep4M. The structural modifications reported herein were evaluated by two-dimensional nuclear magnetic resonance and molecular modelling approaches.
TypeArticle
URIhttp://hdl.handle.net/1822/25935
DOI10.1016/j.reactfunctpolym.2013.02.011
ISSN1381-5148
Peer-Reviewedyes
AccessOpen access
Appears in Collections:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

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