Fibronectin module FNIII9 adsorption at contrasting solid model surfaces studied by atomistic molecular dynamics

Journal of Physical Chemistry B

Volumn 118, Issue 33, 2014, Pages 9900-9908

  Kubiak Ossowska, Karina ^a,b   Mulheran, Paul A ^a   Nowak, Wieslaw ^b  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^b NICOLAUS COPERNICUS UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; ELECTRIC FIELDS; MICA; MOLECULAR DYNAMICS; PROTEINS; SILICA;

ADSORPTION PROCESS; ATOMISTIC MOLECULAR DYNAMICS; ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; CONFORMATIONAL CHANGE; HUMAN FIBRONECTIN; NEGATIVELY CHARGED; PARTIAL CHARGE DISTRIBUTION; POSITIVELY CHARGED SURFACES;

ADSORPTION;

ALUMINUM SILICATE; FIBRONECTIN; GOLD; MICA; SILICON DIOXIDE;

ADSORPTION; CHEMISTRY; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PH; PROTEIN TERTIARY STRUCTURE; STATIC ELECTRICITY; SURFACE PROPERTY;

ADSORPTION; ALUMINUM SILICATES; FIBRONECTINS; GOLD; HUMANS; HYDROGEN-ION CONCENTRATION; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, TERTIARY; SILICON DIOXIDE; STATIC ELECTRICITY; SURFACE PROPERTIES;

EID: 84906485624     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5020077     Document Type: Article

References (48)

1. Huebsch, N.; Mooney, D. J. Inspiration and Application in the Evolution of Biomaterials Nature 2009, 462, 426-432
2. Pankov, R.; Yamada, K. M. Fibronectin at a Glance J. Cell. Sci. 2002, 115, 3861-3863
3. Henderson, B.; Nair, S.; Pallas, J.; Williams, M. A. Fibronectin: A Multidomain Host Adhesin Targeted by Bacterial Fibronectin-Binding Proteins FEMS Microbiol. Rev. 2011, 35, 147-200
4. Jia, D.; Entersz, I.; Butler, C.; Foty, R. A. Fibronectin Matrix-Mediated Cohesion Suppresses Invasion of Prostate Cancer Cells BMC Cancer 2012, 12, 94
5. Mosher, D. F.; Furcht, L. T. Fibronectin: Review of its Structure and Possible Functions J. Invest. Dermatol. 1981, 77, 175-180
6. Hohenester, E.; Engel, J. Domain Structure and Organization in Extracellular Matrix Proteins Matrix Biol. 2002, 21, 115-128
7. Schiefner, A.; Gebauer, M.; Skerra, A. Extra-domain B in Oncofetal Fibronectin Structurally Promotes Fibrillar Head-to-tail Dimerization of Extracellular Martix Protein J. Biol. Chem. 2012, 287, 17578-17588
8. Redick, S. D.; Settles, D. L.; Briscoe, G.; Erickson, H. P. Defining Fibronectin's Cell Adhesion Synergy Site by Site-Directed Mutagenesis J. Cell Biol. 2000, 149, 521-527
9. Xie, J.; Zheng, Y.; Ying, J. Y. Protein-Directed Synthesis of Hightly Fluorescent Gold Nanoclusters J. Am. Chem. Soc. 2009, 131, 888-889
10. Kubiak, K.; Nowak, W. Molecular Dynamics Simulations of the Photoactive Protein Nitrile Hydratase Biophys. J. 2008, 94, 3824-3838
11. Sanders, J. M.; Wampole, M. E.; Thakur, M. E.; Wickstrom, E. Molecular Determinants of Epidermal Growth Factor Binding: A Molecular Dynamics Study PLoS One 2013, 8, e54136
12. Yu, H.; Schulten, K. Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations PLoS Comput. Biol. 2013, 9, e1002892
13. Raffaini, G.; Ganazzoli, F. Molecular Dynamics Simulation of Adsorption of a Fibronectin Module on a Graphite Surface Langmuir 2004, 20, 3371-3378
14. Raffaini, G.; Ganazzoli, F. Protein Adsorption on the Hydrophobic Surface of a Glassy Polymer: A Computer Simulation Study Phys. Chem. Chem. Phys. 2006, 8, 2765-2772
15. Mulheran, P. A.; Kubiak, K. Protein Adsorption Mechanisms on Solid Surfaces: Lysozyme-on-mica Mol. Sim. 2009, 35, 561-566
16. Kubiak, K.; Mulheran, P. A. Molecular Dynamics Simulations of Hen Egg White Lysozyme Adsorption at a Charged Solid Surface J. Phys. Chem. B 2009, 113, 12189-12200
17. Kubiak-Ossowska, K.; Mulheran, P. A. What Governs Protein Adsorption and Immobilization at a Charged Solid Surface? Langmuir 2010, 26, 7690-7694
18. Kubiak-Ossowska, K.; Mulheran, P. A. Mechanism of Hen Egg White Lysozyme Adsorption on a Charged Solid Surface Langmuir 2010, 26, 15954-15965
19. 2 Surfaces J. Phys. Chem. C 2010, 114, 14496-14502
20. Köppen, S.; Langel, W. Simulation of Adhesion Forces and Energies of Peptides on Titanium Dioxide Surfaces Langmuir 2010, 26, 15248-15256
21. Kubiak-Ossowska, K.; Mulheran, P. A. Multiprotein Interactions during Surface Adsorption: A Molecular Dynamics Study of Lysozyme Aggregation at a Charged Solid Surface J. Phys. Chem. B 2011, 115, 8891-8900
22. Steudle, A.; Pleiss, J. Modelling of Lysozyme Binding to a Cation Exchange Surface at Atomic Detail: The Role of Flexibility Biophys. J. 2011, 100, 3016-3024
23. Patwardhan, S. V.; Emami, F. S.; Berry, R. J.; Jones, S. E.; Naik, R. R.; Deschaume, O.; Heinz, H.; Perry, C. C. Chemistry of Aqueous Silica Nanopatricle Surfaces and the Mechanism of Selective Peptide Adsorption J. Am. Chem. Soc. 2012, 134, 6244-6256
24. Satriano, C.; Fragala, M. E.; Forte, G.; Santoro, A. M.; La Mendola, D.; Kasemo, B. Surface Adsorption of Fibronectin-Derived Peptide Fragments: The Influence of Electrostatics and Hydrophobicity for Endothelial Cells Adhesion Soft Matter 2012, 8, 53-56
25. Panos, M.; Sen, T. Z.; Ahunbay, M. G. Molecular Simulations of Fibronectin Adsorption onto Polyurethane Surfaces Langmuir 2012, 28, 12619-12628
26. Kubiak-Ossowska, K.; Burley, G.; Patwardhan, S. V.; Mulheran, P. A. Spontaneous Membrane-Translocating Peptide Adsorption at Silica Surfaces: A Molecular Dynamics Study J. Phys. Chem. B 2013, 117, 14666-14675
27. Krammer, A.; Craig, D.; Thomas, W. E.; Schulten, K.; Vogel, V. A Structural Model for Force Regulated Integrin Binding to Fibronectin's RGD-Synergy Site Matrix Biol. 2002, 21, 139-147
28. Kubiak-Ossowska, K.; Mulheran, P. A. Protein Diffusion and Long-Term Adsorption States at Charged Solid Surfaces Langmuir 2012, 28, 15577-15585
29. Peplowski, L.; Kubiak, K.; Nowak, W. Mechanical Aspects of Nitrile Hydratase Enzymatic Activity. Steered Molecular Dynamics Simulations of Pseudonocardia Thermophilia JCM3095 Chem. Phys. Lett. 2008, 467, 144-149
30. Colizzi, F.; Perozzo, R.; Scapozza, L.; Recanatini, M.; Cavali, A. Single-Molecule Pulling Simulations Can Discern Active from Inactive Enzyme Inhibitors J. Am. Chem. Soc. 2010, 132, 7361-7371
31. Paterson, K.; Lisal, M.; Colina, C. M. Adsorption Behavior of Model Proteins on Surfaces Fluid Phase Equilib. 2011, 302, 48-54
32. Sabirianov, R. F.; Rubinstein, A.; Navamar, F. Enhanced Initial Protein Adsorption on Engineered Nanostructured Cubic Zirconia Phys. Chem. Chem. Phys. 2011, 13, 6597-6609
33. Phillips, J. C.; Braun, R.; Wang, W.; Gumbart, J.; Tajkhorshid, E.; Villa, E.; Chipot, Ch.; Skeel, R. D.; Kale, L.; Schulten, K. Scalable Molecular Dynamics with NAMD J. Comput. Chem. 2005, 26, 1781-1802
34. Humphrey, W.; Dalke, A.; Schulten, K. Visual Molecular Dynamics J. Mol. Graphics 1996, 14, 33-38
35. Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pederson, L. A Smooth Particle Mesh Ewald Method J. Chem. Phys. 1995, 103, 8577-8593
36. Kastenholz, M. A.; Hünenberger, P. H. Influence of Artificial Periodicity and Ionic Strength in Molecular Dynamics Simulations of Charged Biomolecules Employing Lattice-Sum Methods J. Phys. Chem. B 2004, 108, 774-788
37. Heinz, H.; Farmer, B. L.; Pandey, R. B.; Slocik, J. M.; Patnaik, S. S.; Pachter, R.; Naik, R. R. Nature of Molecular Interactions of Peptides with Gold, Palladium and Pd-Au Bimetal Surfaces in Aqueous Solution J. Am. Chem. Soc. 2009, 131, 9704-9714
38. Feng, J.; Pandey, R. B.; Berry, R. J.; Farmer, B. L.; Naik, R. R.; Heinz, H. Adsorption Mechanism of Single Amino Acid and Surfactant Molecules to Au {111} surfaces in Aqueous Solution: Design Rules for Metal-Binding Molecules Soft Matter 2011, 7, 2113-2120
39. Heinz, H.; Vaia, R. A.; Farmer, B. L.; Naik, R. R. Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials J. Phys. Chem. C 2008, 112, 17281-17290
40. Vila Verde, A.; Acres, J. M.; Maranas, J. K. Investigating the Specificity of Peptide Adsorption on Gold Using Molecular Dynamics Simulations Biomacromolecules 2009, 10, 2118-2128
41. Wright, L. B.; Rodger, M.; Corni, S.; Walsh, T. R. GolP-CHARMM: First Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100) J. Chem. Theory. Comput. 2013, 9, 1616-1630
42. Piana, S.; Billic, A. The Nature of the Adsorption of Nucleobases on the Gold [111] Surface J. Phys. Chem. B 2006, 110, 23467-23471
43. Sandig, N.; Zerbetto, F. Molecules on Gold Chem. Commun. 2010, 46, 667-676
44. Rosa, M.; Corni, S.; Di Felice, R. Enthalpy-Entropy Tuning in the Adsorption of Nucleobases at the Au(111) Surface J. Chem. Theory. Comput. 2014, 10, 1707-1716
45. Lhoest, J.-B.; Detrait, E.; van den Bosch de Aguilar, P.; Bertrand, P. Fibronectin Adsorption, Conformation, and Orientation on Polystyrene Substrates Studied by Radiolabeling, XPS, and ToF SIMS J. Biomed. Mater. Res. 1998, 41, 95-103
46. Yang, Y.; Glover, R.; Ong, J. L. Fibronectin Adsorption on Titanium Surfaces and its Effect on Osteoblast Precursor Cell Attachment Colloids Surf., B 2003, 30, 291-297
47. 2 Type Influences Fibronectin Adsorption J. Mater. Sci. 2005, 16, 1173-1178
48. Ribeiro, C.; Panadero, J. A.; Sencadas, V.; Lanceros-Mendez, S.; Tamano, M. N.; Mortal, D.; Salmeron-Sanchez, M.; Gomez Ribelles, J. L. Fibronectin Adsorption and Cell Response on Electroactive Poly(vinylidene fluoride) Films Biomed. Mater. 2012, 7, 035004