Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/25935
Título: | NMR and molecular modelling studies on elastase inhibitor-peptides for wound management |
Autor(es): | Barros, Sandra Cerqueira Louro, Ricardo O. Micaelo, N. M. Martins, José A. Marcos, João Carlos Paulo, Artur Cavaco |
Palavras-chave: | Elastase inhibitor-peptides SLPI 2D-NMR Molecular docking Phosphorylation |
Data: | Out-2013 |
Editora: | Elsevier 1 |
Revista: | Reactive and Functional Polymers |
Resumo(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. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/25935 |
DOI: | 10.1016/j.reactfunctpolym.2013.02.011 |
ISSN: | 1381-5148 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
2013 NMR and molecular modelling studies on elastase inhibitor-peptides for wound management.pdf | NMR and molecular modelling studies on elastase inhibitor-peptides for wound management | 3,26 MB | Adobe PDF | Ver/Abrir |