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Title: | Self-Organization Dynamics of Collagen-like Peptides Crosslinking Is Driven by Rose-Bengal-Mediated Electrostatic Bridges |
Author: | Rosales Rojas, Roberto Zuniga Bustos, Matías Salas Sepulveda, Francisca Galaz Araya, Constanza Zamora, Ricardo A. Poblete, Horacio |
Keywords: | Dinàmica molecular Mètodes de simulació Síntesi de pèptids Enginyeria de teixits Molecular dynamics Simulation methods Peptide synthesis Tissue engineering |
Issue Date: | 1-Jun-2022 |
Abstract: | The present work focuses on the computational study of the structural micro-organization of hydrogels based on collagen-like peptides (CLPs) in complex with Rose Bengal (RB). In previous studies, these hydrogels computationally and experimentally demonstrated that when RB was activated by green light, it could generate forms of stable crosslinked structures capable of regenerating biological tissues such as the skin and cornea. Here, we focus on the structural and atomic interactions of two collagen-like peptides (collagen-like peptide I (CLPI), and collagen-like peptide II, (CLPII)) in the presence and absence of RB, highlighting the acquired three-dimensional organization and going deep into the stabilization effect caused by the dye. Our results suggest that the dye could generate a ternary ground-state complex between collagen-like peptide fibers, specifically with positively charged amino acids (Lys in CLPI and Arg in CLPII), thus stabilizing ordered three-dimensional structures. The discoveries generated in this study provide the structural and atomic bases for the subsequent rational development of new synthetic peptides with improved characteristics for applications in the regeneration of biological tissues during photochemical tissue bonding therapies. |
Note: | Reproducció del document publicat a: https://doi.org/10.3390/pharmaceutics14061148 |
It is part of: | Pharmaceutics, 2022, 14, num. 6, p. 1148 |
URI: | http://hdl.handle.net/2445/189105 |
Related resource: | https://doi.org/10.3390/pharmaceutics14061148 |
ISSN: | 1999-4923 |
Appears in Collections: | Articles publicats en revistes (Institut de Bioenginyeria de Catalunya (IBEC)) |
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2022_Pharm_Self_ZamoraRA.pdf | 1.8 MB | Adobe PDF | View/Open |
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