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Combined Experimental and Molecular Simulation Study of Insulin-Chitosan Complexation Driven by Electrostatic
Cecilia Prudkin-Silva1, Oscar E Pérez1, Karina D Martínez2
1Departamento de Química Biológica, Facultad de Ciencias Exactas y Naturales, Instituto de Química Biológica de la Facultad de Ciencias Exactas y Naturales, IQUIBICEN-CONICET , Universidad de Buenos Aires, Buenos Aires, Intendente Güiraldes, s/n, Ciudad Universitaria , Pabellón 2 , Buenos Aires CP 1428 , Argentina.
Journal of Chemical Information and Modeling
|December 3, 2019
Summary
The electrostatic mechanism drives insulin-chitosan complexation, particularly with insulin aggregates. This interaction, crucial for biomaterials, occurs within a specific pH range and is influenced by insulin
Area of Science:
- Biomaterials Science
- Biotechnology
- Biophysics
Background:
- Protein-polysaccharide complexes are vital for developing advanced biomaterials.
- Self-assembly methods are key for creating these novel materials.
- Applications span biomedicine, food science, and biotechnology.
Purpose of the Study:
- To investigate the complexation between insulin (INS) and chitosan (CS).
- To determine the primary driving force behind INS-CS complexation.
- To explore the influence of pH and insulin aggregation state on complexation.
Main Methods:
- Constant-pH Monte Carlo simulations were employed for theoretical investigation.
- Fourier-transform infrared (FTIR) spectroscopy was used for experimental analysis.
- Zeta-potential measurements complemented the simulation and spectroscopic data.
Main Results:
- Complexation is primarily driven by electrostatic interactions between insulin and chitosan.
- FTIR spectra revealed characteristic absorption bands indicating polymer-protein interaction.
- Complexation occurred in the pH range of 5.5 to 6.5, influenced by insulin aggregation.
- Charge regulation mechanism facilitates incipient complexation via Coulombic interactions.
Conclusions:
- Electrostatic forces are the main drivers of insulin-chitosan complexation.
- Insulin aggregation state and pH significantly influence the complexation efficiency.
- The charge regulation mechanism plays a role in initiating complex formation.
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