NDLI: Interaction of β-Sheet Folds with a Gold Surface

Content Provider	PubMed Central
Author	Hoefling, Martin Monti, Susanna Stefano, Corni Gottschalk, Kay Eberhard
Editor	Franca, Fraternali
Copyright Year	2011
Abstract	The adsorption of proteins on inorganic surfaces is of fundamental biological importance. Further, biomedical and nanotechnological applications increasingly use interfaces between inorganic material and polypeptides. Yet, the underlying adsorption mechanism of polypeptides on surfaces is not well understood and experimentally difficult to analyze. Therefore, we investigate here the interactions of polypeptides with a gold(111) surface using computational molecular dynamics (MD) simulations with a polarizable gold model in explicit water. Our focus in this paper is the investigation of the interaction of polypeptides with β-sheet folds. First, we concentrate on a β-sheet forming model peptide. Second, we investigate the interactions of two domains with high β-sheet content of the biologically important extracellular matrix protein fibronectin (FN). We find that adsorption occurs in a stepwise mechanism both for the model peptide and the protein. The positively charged amino acid Arg facilitates the initial contact formation between protein and gold surface. Our results suggest that an effective gold-binding surface patch is overall uncharged, but contains Arg for contact initiation. The polypeptides do not unfold on the gold surface within the simulation time. However, for the two FN domains, the relative domain-domain orientation changes. The observation of a very fast and strong adsorption indicates that in a biological matrix, no bare gold surfaces will be present. Hence, the bioactivity of gold surfaces (like bare gold nanoparticles) will critically depend on the history of particle administration and the proteins present during initial contact between gold and biological material. Further, gold particles may act as seeds for protein aggregation. Structural re-organization and protein aggregation are potentially of immunological importance.
Related Links	http://dx.doi.org/10.1371/journal.pone.0020925
Starting Page	20925
File Format	PDF
ISSN	19326203
e-ISSN	19326203
Journal	PLoS ONE
Issue Number	6
Volume Number	6
Language	English
Publisher	Public Library of Science
Publisher Date	2011-06-01
Access Restriction	Open
Rights Holder	Public Library of Science
Subject Keyword	Biochemistry, Genetics and Molecular Biology(all) Agricultural and Biological Sciences(all) Medicine(all) Research in Higher Education
Content Type	Text
Resource Type	Article
Subject	Multidisciplinary

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Interaction of β-Sheet Folds with a Gold Surface

Free Cholesterol Induces Higher β-Sheet Content in Aβ Peptide Oligomers by Aromatic Interaction with Phe19

A Novel Human Tectonin Protein with Multivalent β-Propeller Folds Interacts with Ficolin and Binds Bacterial LPS

Computational Design of the β-Sheet Surface of a Red Fluorescent Protein Allows Control of Protein Oligomerization

Predicting Protein Folds with Fold-Specific PSSM Libraries

Interaction between DNA Polymerase β and BRCA1

Regulation of Interferon-β by MAGI-1 and Its Interaction with Influenza A Virus NS1 Protein with ESEV PBM

BAAV Transcytosis Requires an Interaction with β-1-4 Linked- Glucosamine and gp96

Role of Bacterial Surface Structures on the Interaction of Klebsiella pneumoniae with Phagocytes

Interaction of β-Sheet Folds with a Gold Surface

Similar Documents

Interaction of β-Sheet Folds with a Gold Surface

Free Cholesterol Induces Higher β-Sheet Content in Aβ Peptide Oligomers by Aromatic Interaction with Phe19

A Novel Human Tectonin Protein with Multivalent β-Propeller Folds Interacts with Ficolin and Binds Bacterial LPS

Computational Design of the β-Sheet Surface of a Red Fluorescent Protein Allows Control of Protein Oligomerization

Predicting Protein Folds with Fold-Specific PSSM Libraries

Interaction between DNA Polymerase β and BRCA1

Regulation of Interferon-β by MAGI-1 and Its Interaction with Influenza A Virus NS1 Protein with ESEV PBM

BAAV Transcytosis Requires an Interaction with β-1-4 Linked- Glucosamine and gp96

Role of Bacterial Surface Structures on the Interaction of Klebsiella pneumoniae with Phagocytes

Interaction of β-Sheet Folds with a Gold Surface