Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10316/106474
Título: | Structure-Based Design, Synthesis and Bioactivity of a New Anti-TNFα Cyclopeptide | Autor: | Idress, Mohannad Milne, Bruce F. Thompson, Gary S. Trembleau, Laurent Jaspars, Marcel Houssen, Wael E. |
Palavras-chave: | cyclic peptides; NMR structure; drug design; protein–protein interaction | Data: | 19-Fev-2020 | Editora: | MDPI | Título da revista, periódico, livro ou evento: | Molecules | Volume: | 25 | Número: | 4 | Resumo: | As opposed to small molecules, macrocyclic peptides possess a large surface area and are recognised as promising candidates to selectively treat diseases by disrupting specific protein-protein interactions (PPIs). Due to the difficulty in predicting cyclopeptide conformations in solution, the de novo design of bioactive cyclopeptides remains significantly challenging. In this study, we used the combination of conformational analyses and molecular docking studies to design a new cyclopeptide inhibitor of the interaction between the human tumour necrosis factor alpha (TNFα) and its receptor TNFR-1. This interaction is a key in mediating the inflammatory response to tissue injury and infection in humans, and it is also an important causative factor of rheumatoid arthritis, psoriasis and inflammatory bowel disease. The solution state NMR structure of the cyclopeptide was determined, which helped to deduce its mode of interaction with TNFα. TNFα sensor cells were used to evaluate the biological activity of the peptide. | URI: | https://hdl.handle.net/10316/106474 | ISSN: | 1420-3049 | DOI: | 10.3390/molecules25040922 | Direitos: | openAccess |
Aparece nas coleções: | I&D CFis - Artigos em Revistas Internacionais |
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Ficheiro | Descrição | Tamanho | Formato | |
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Structurebased-design-synthesis-and-bioactivity-of-a-new-antiTNF-cyclopeptideMolecules.pdf | 1.78 MB | Adobe PDF | Ver/Abrir |
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