Mechanism of action of cyclic antimicrobial peptides

This PhD thesis is the result of the combination of experimental and computational techniques with the aim of understanding the mechanism of action of de novo cyclic decapeptides with high antimicrobial activity. By experimental techniques the influence of the replacement of the phenylalanine for tr...

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Detalles Bibliográficos
Autor: Díaz i Cirac, Anna
Tipo de recurso: tesis doctoral
Estado:Versión publicada
Fecha de publicación:2011
País:España
Institución:CBUC, CESCA
Repositorio:TDR. Tesis Doctorales en Red
OAI Identifier:oai:www.tdx.cat:10803/38252
Acceso en línea:http://hdl.handle.net/10803/38252
http://mediaserver.csuc.cat/tdx/documents/16/04/09/160409284258579343266255546718770547416/
Access Level:acceso abierto
Palabra clave:Cyclic peptides
Pèptids cíclics
Péptidos cíclicos
Structure-function relationship
Relació estructura-funció
Relación estructura-función
Antimicrobial peptides
Pèptids antimicrobials
Péptidos antimicrobiales
De novo design
Molecular dynamics
Dinàmica molecular
Dinámica molecular
Bacterial membrane
Membrana bacterial
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Descripción
Sumario:This PhD thesis is the result of the combination of experimental and computational techniques with the aim of understanding the mechanism of action of de novo cyclic decapeptides with high antimicrobial activity. By experimental techniques the influence of the replacement of the phenylalanine for tryptophan residue in their antimicrobial activity was tested and the stability in human serum was also analyzed, in order to evaluate their potential therapeutic application as antitumor agents. On the other hand, the interaction amongst the peptide BPC194 c(KKLKKFKKLQ), the best candidate from the whole library of cyclic peptides, and a model anionic membrane was simulated. The results showed a structure-function relationship derived from the stable conformation of the peptides involved in the membrane permeabilization. As a result, a rational design was performed being BPC490 the peptide with best antimicrobial activity compared with the best active peptide from the original library.