Impact of Protein-Polymer Interactions in the Antimicrobial Activity of Lysozyme/Poly(3,4-ethylenedioxythiophene) Biocapacitors
| Autor: | Carlos Alemán, David Zanuy, Jordi Triguero |
|---|---|
| Přispěvatelé: | Universitat Politècnica de Catalunya. Departament d'Enginyeria Química, Universitat Politècnica de Catalunya. IMEM-BRT- Innovation in Materials and Molecular Engineering - Biomaterials for Regenerative Therapies |
| Rok vydání: | 2018 |
| Předmět: |
Materials science
Conducting polymers 02 engineering and technology Molecular dynamics 010402 general chemistry 01 natural sciences chemistry.chemical_compound Enginyeria química [Àrees temàtiques de la UPC] Adsorption Adsorció Polímers conductors Dinàmica molecular Conductive polymer Adsorption Conducting polymer Encapsulation Molecular dynamics Protein model General Chemistry 021001 nanoscience & nanotechnology Antimicrobial Protein polymer 0104 chemical sciences Chemical engineering chemistry Protein model Lysozyme 0210 nano-technology Poly(3 4-ethylenedioxythiophene) |
| Zdroj: | UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC) Recercat. Dipósit de la Recerca de Catalunya instname |
| ISSN: | 2365-6549 |
| DOI: | 10.1002/slct.201801956 |
| Popis: | Biocapacitors constructed by combining lysozyme (LYZ) and poly(3,4-ethylenedioxythiophene) (PEDOT) retained the bactericidal activity of the protein when this was encapsulated within the polymeric matrix but lost the antimicrobial behaviour when the LYZ was adsorbed onto the polymer. In this work we use atomistic Molecular Dynamics simulations to examine the influence of protein···polymer interactions in the bactericidal activity of LYZ-containing biocapacitors. Results show that the anisotropic forces exerted by oxidized PEDOT chains on the adsorbed protein induce small structural changes that locally affect at the active centre, breaking the intra-residue interactions associated with the antibacterial mechanism. Conversely, isotropic polymer···protein interactions in biocapacitors with encapsulated LYZ do not affect the stability of the active centre. These observations suggest that the strong repulsive or attractive forces between p-doped polymer chains and the positively or negatively charged LYZ residues, respectively, are the only ones responsible for the protein activity. |
| Databáze: | OpenAIRE |
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