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Updated: May 3, 2026
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Injectable Supramolecular Polymer-Nanoparticle Hydrogels for Cell and Drug Delivery Applications
Published on: February 7, 2021
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[Molecular simulation research on aggregation of insulin]
Daixi Li1, Baolin Liu2, Baisong Guo3
1School of Medical Instrument and Food Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China. dxli75@126.com
Summary
Insulin
Area of Science:
- Computational chemistry
- Molecular dynamics
- Biophysics
Context:
- Insulin aggregation impacts therapeutic efficacy and stability.
- Understanding insulin's structural dynamics is crucial for formulation development.
- Zinc (II) ions are commonly used in insulin formulations.
Purpose:
- To investigate the thermal stability of insulin aggregations.
- To determine the effect of zinc (II) ion coordination on insulin stability.
- To elucidate the role of synergistic stability in insulin's bioactivity.
Summary:
- Molecular simulation revealed synergistic stability in insulin hexamers, enhancing thermal stability and bioactivity.
- Quantum chemistry calculations showed strong Zn(II)-N bonds but unfavorable Gibbs free energy changes for hexamer formation.
- Zinc (II) coordination is unfavorable for insulin hexamer formation despite strong bond energies.
Impact:
- Findings enhance understanding of insulin's stability during production, storage, and delivery.
- Synergistic stability contributes to prolonged insulin half-life in vivo.
- Insights guide the development of more stable and effective insulin formulations.
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