title: Effect of peptide length on the conjugation to the gold nanoparticle surface: a molecular dynamic study.
abstract: BACKGROUND
  Gold nanoparticles now command a great deal of attention for medical applications. Despite the importance of nano-bio interfaces, interaction between peptides and proteins with gold surfaces is not still fully understood, especially in a molecular level.
  
  
  METHODS
  In the present study computational simulation of adsorption of 20 amino acids, in three forms of mono-amino acid, homo di-peptide and homo tri-peptide, on the gold nanoparticles was performed by Gromacs using OPLSAA force field. The flexibility, stability, and size effect of the peptides on the gold nanoparticles were studied as well as the molecular structure of them.
  
  
  RESULTS
  According to our results, adsorbed homo tri-peptides on the gold surface had more flexibility, more gyration, and the farthest distance from the GNP in comparison with homo di-peptides and mono-amino acids.
  
  
  CONCLUSIONS
  Our findings provide new insights into the precise control of interactions between amino acids anchored on the GNPs.
authors: Fatemeh
authors: F
authors: Ramezani
authors: Mostafa
authors: M
authors: Habibi
authors: Hashem
authors: H
authors: Rafii-Tabar
authors: Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, Tehran, Iran. amanlou@tums.ac.ir.
authors: Massoud
authors: M
authors: Amanlou
mesh_terms: D000327:Adsorption; D000465:Algorithms; D000596:Amino Acids / Q000737:chemistry / Q000378:metabolism; D001672:Biocompatible Materials / Q000737:chemistry*; D004151:Dipeptides / Q000737:chemistry / Q000378:metabolism; D006046:Gold / Q000737:chemistry*; D055767:Immobilized Proteins / Q000737:chemistry* / Q000378:metabolism; D053768:Metal Nanoparticles / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D008970:Molecular Weight; D009842:Oligopeptides / Q000737:chemistry* / Q000378:metabolism; D055550:Protein Stability; D013499:Surface Properties
chemical_list: D000596:Amino Acids; D001672:Biocompatible Materials; D004151:Dipeptides; D055767:Immobilized Proteins; D009842:Oligopeptides; D006046:Gold
references: FASEB J. 2000 Feb;14(2):231-41
references: 10657980
references: J Comput Chem. 2002 Jul 30;23(10):977-96
references: 12116403
references: Biopolymers. 2003;71(5):558-68
references: 14635096
references: J Comput Chem. 2005 Dec;26(16):1701-18
references: 16211538
references: Appl Spectrosc. 2005 Dec;59(12):1516-26
references: 16390592
references: J Comput Chem. 2009 Jul 15;30(9):1465-76
references: 19037859
references: Biomacromolecules. 2009 Aug 10;10(8):2118-28
references: 19621884
references: Chemphyschem. 2010 Jun 7;11(8):1763-7
references: 20301176
references: Colloids Surf B Biointerfaces. 2010 Nov 1;81(1):235-41
references: 20674288
references: Chemistry. 2011 Jan 24;17(4):1327-36
references: 21243701
references: PLoS One. 2011;6(6):e20925
references: 21687744
references: Nucleic Acids Res. 2012 Jul;40(Web Server issue):W317-22
references: 22689641
references: Amino Acids. 2014 Apr;46(4):911-20
references: 24378870
references: J Am Chem Soc. 1988 Mar 1;110(6):1657-66
references: 27557051