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Electric Field-Mediated Fibronectin-Hydroxyapatite Interaction: A Molecular Insight
Subhadip Basu1, Biswajit Gorai2, Bikramjit Basu1,3
1Materials Research Centre, Indian Institute of Science, Bangalore 560012, India.
The Journal of Physical Chemistry. B
|January 4, 2021
Summary
External electric fields influence fibronectin adsorption on hydroxyapatite surfaces. Applying an electric field can expose cell-binding RGD sequences, impacting biomaterial interactions.
Area of Science:
- Biomaterials Science
- Computational Biophysics
- Surface Chemistry
Background:
- Cell-material interactions are crucial in biomaterials, influenced by material properties and biophysical stimulation.
- Protein adsorption mediates cell responses, yet physicochemical factors affecting it are underexplored.
- Electric field stimulation shows promise in modulating cell functionality for implantable biomaterials.
Purpose of the Study:
- To investigate the effect of external electric field stimulation on fibronectin adsorption onto a hydroxyapatite surface.
- To explore the molecular mechanisms governing protein adsorption under electric fields using simulations.
Main Methods:
- All-atom molecular dynamics (MD) simulations were employed.
- Simulations were conducted on fibronectin (FN) adsorption to a hydroxyapatite (HA) (001) surface at 300 K.
- External electric fields up to 1.00 V/nm were applied.
Main Results:
- Fibronectin adsorption is driven by electrostatic interactions, modulated by electric field strength.
- Structural integrity of fibronectin changed non-monotonously with electric field strength and direction.
- Electric field stimulation caused alignment of dipole moments for FN, water, and HA.
- The RGD sequence of fibronectin was exposed to the solvent under an outward-directed electric field.
Conclusions:
- External electric fields significantly influence fibronectin adsorption dynamics and protein structure on hydroxyapatite.
- Electric field application can control the presentation of cell-adhesion motifs like RGD.
- This study provides molecular-level insights into electric field effects on protein-surface interactions for biomaterial design.
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