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New Amphiphilic Molecules for Biomedical Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biology".

Deadline for manuscript submissions: closed (20 April 2024) | Viewed by 1023

Special Issue Editor

Special Issue Information

Dear Colleagues,

Amphiphilic natural and synthetic polymers play an important role in the functioning of living organisms, are widely used in nanomedicine, for example, for the delivery of drugs, and have also proven themselves in many industrial applications. This term has traditionally been used for the amphiphilic interactions of biomacromolecules and polymers with the most common solvent, water. Natural or synthetic amphiphilic copolymers have both hydrophobic and hydrophilic parts. Block-, graft-copolymers, dendrimers, dendrigrafts, and hyperbranched amphiphilic polymers have been designed. Amphiphilic surfactants have been used in dispersion and emulsion polymerization and as the compatibilization of immiscible polymers. With the use of an increasing number of solvents, in addition to hydrophilic and hydrophobic polymers and biopolymers, the more general terms solvophilic and solvophobic polymers began to be widely used, referring to the solubility of these molecules in other solvents, as well as the concept of polyphilic and, in particular, triphilic interactions and polymers, including additional interactions such as fluorophilicity.

As is known, amphiphilic and polyphilic molecules can self-organize in solution into various spatial structures from simple spherical or cylindrical micelles and vesicles to more complex multicompartment structures. These structures can be used to deliver drugs and genetic material to target cells.

The purpose of this Special Issue is to attract works devoted to a wide range of issues related to amphiphilic and polyphilic linear and branched macromolecules, ranging from their synthesis and characterization to theoretical studies and mathematical modeling, as well as the use of these systems in biomedical and industrial applications.

Prof. Dr. Igor Neelov
Guest Editor

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Keywords

  • amphiphilic polymers and biopolymers
  • macromolecules of complex topology
  • self-assembling
  • synthesis
  • characterization
  • computer simulation
  • drug and gene delivery
  • nanomedicine

Published Papers (1 paper)

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Research

19 pages, 11088 KiB  
Article
A Molecular Dynamics Simulation of Complexes of Fullerenes and Lysine-Based Peptide Dendrimers with and without Glycine Spacers
by Valeriy V. Bezrodnyi, Sofia E. Mikhtaniuk, Oleg V. Shavykin, Nadezhda N. Sheveleva, Denis A. Markelov and Igor M. Neelov
Int. J. Mol. Sci. 2024, 25(2), 691; https://doi.org/10.3390/ijms25020691 - 05 Jan 2024
Viewed by 799
Abstract
The development of new nanocontainers for hydrophobic drugs is one of the most important tasks of drug delivery. Dendrimers with hydrophobic interiors and soluble terminal groups have already been used as drug carriers. However, the most convenient candidates for this purpose are peptide [...] Read more.
The development of new nanocontainers for hydrophobic drugs is one of the most important tasks of drug delivery. Dendrimers with hydrophobic interiors and soluble terminal groups have already been used as drug carriers. However, the most convenient candidates for this purpose are peptide dendrimers since their interiors could be modified by hydrophobic amino acid residues with a greater affinity for the transported molecules. The goal of this work is to perform the first molecular dynamics study of the complex formation of fullerenes C60 and C70 with Lys-2Gly, Lys G2, and Lys G3 peptide dendrimers in water. We carried out such simulations for six different systems and demonstrated that both fullerenes penetrate all these dendrimers and form stable complexes with them. The density and hydrophobicity inside the complex are greater than in dendrimers without fullerene, especially for complexes with Lys-2Gly dendrimers. It makes the internal regions of complexes less accessible to water and counterions and increases electrostatic and zeta potential compared to single dendrimers. The results for complexes based on Lys G2 and Lys G3 dendrimers are similar but less pronounced. Thus, all considered peptide dendrimers and especially the Lys-2Gly dendrimer could be used as nanocontainers for the delivery of fullerenes. Full article
(This article belongs to the Special Issue New Amphiphilic Molecules for Biomedical Applications)
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