Next Article in Journal
Association of Finite-Time Thermodynamics and a Bond-Graph Approach for Modeling an Endoreversible Heat Engine
Previous Article in Journal
Modeling Time’s Arrow
Entropy 2012, 14(4), 630-641; doi:10.3390/e14040630
Article

Effect of Gold Nanoparticle Conjugation on Peptide Dynamics and Structure

 and
*
Received: 31 January 2012 / Revised: 10 March 2012 / Accepted: 19 March 2012 / Published: 23 March 2012
Download PDF [383 KB, uploaded 24 February 2015]

Abstract

Molecular dynamics simulations were used to characterize the structure and dynamics for several peptides and the effect of conjugating them to a gold nanoparticle. Peptide structure and dynamics were compared for two cases: unbound peptides in water, and peptides bound to the gold nanoparticle surface in water. The results show that conjugating the peptides to the gold nanoparticle usually decreases conformational entropy, but sometimes increases entropy. Conjugating the peptides can also result in more extended structures or more compact structures depending on the amino acid sequence of the peptide. The results also suggest that if one wishes to use peptide-nanoparticle conjugates for drug delivery it is important that the peptides contain secondary structure in solution because in our simulations the peptides with little to no secondary structure adsorbed to the nanoparticle surface.
Keywords: nanoparticle-peptide interactions; molecular dynamics; drug delivery; nano-conjugate nanoparticle-peptide interactions; molecular dynamics; drug delivery; nano-conjugate
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Share & Cite This Article

Further Mendeley | CiteULike
Export to BibTeX |
EndNote
MDPI and ACS Style

Lee, K.H.; Ytreberg, F.M. Effect of Gold Nanoparticle Conjugation on Peptide Dynamics and Structure. Entropy 2012, 14, 630-641.

View more citation formats

Article Metrics

For more information on the journal, click here

Comments

Cited By

[Return to top]
Entropy EISSN 1099-4300 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert