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Hongwang Wang¹, Asanka S Yapa¹, Nilusha L Kariyawasam¹

¹Department of Chemistry, Kansas State University, Manhattan, KS, USA.

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|July 30, 2017

Summary

Researchers synthesized novel nanosponges using trigonal building blocks. These supramolecular aggregates show potential for biomedical applications due to their stability and low toxicity.

Keywords:

Aggregation Coarse-grained molecular dynamics simulations Drug delivery Explicit solvent molecular dynamics simulations Nanomaterials Nanosponges Supramolecular

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Area of Science:

Supramolecular Chemistry
Materials Science
Biomaterials Engineering

Background:

Supramolecular aggregates offer unique properties for various applications.
Designing building blocks with specific geometries is key to controlling self-assembly.
Peptide sequences can be incorporated to impart specific functionalities.

Purpose of the Study:

To synthesize and characterize a novel type of supramolecular aggregate, termed "nanosponge."
To investigate the self-assembly behavior of cholesterol-peptide-trimaleimide building blocks.
To explore the structural and toxicological properties of the newly formed nanosponges.

Main Methods:

Synthesis of cholesterol-(K/D)nDEVDGC)3-trimaleimide building blocks via Michael addition.
Self-assembly studies in aqueous buffer to form nanosponges.
Molecular dynamics (MD) simulations (explicit solvent and coarse-grained) for structural analysis.
In vitro cytotoxicity assays using monocyte/macrophage-like cells.

Main Results:

Stable nanosponges were formed from cholesterol-(K)nDEVDGC)3-trimaleimides and 1:1 mixtures with cholesterol-(K/D)nDEVDGC)3-trimaleimides.
Cholesterol-(D)nDEVDGC)3-trimaleimide alone did not form supramolecular aggregates.
Nanosponges exhibited diameters ranging from 80 nm to several micrometers.
The synthesized nanosponges demonstrated virtual non-toxicity to tested cell lines.

Conclusions:

Novel trigonal supramolecular building blocks can self-assemble into stable nanosponges.
The peptide sequence (K vs. D) and mixing ratios are critical for nanosponge formation.
The characterized nanosponges possess favorable structural and safety profiles for potential biomaterial applications.