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Nanostructured Drug Delivery Systems 2.0: Modeling, Preparation and Characterisation

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

Deadline for manuscript submissions: closed (30 March 2024) | Viewed by 1821

Special Issue Editors

Special Issue Information

Dear Colleagues,

Nanostructured objects are systems with one or more dimensions or features reduced to the nanoscale, presenting some unique and sometimes unprecedented physicochemical properties. The possibility of manipulating and regulating these properties makes them suitable for a variety of nanomedical applications. In recent years, low-dimensional structures with specific advanced functional properties have attracted extremely extensive research interest in pharmaceutical and healthcare fields. The nano-encapsulation of drugs or nutrients is a promising and broadly applied formulation technology that enables several interesting novel delivery concepts. Despite decades of technical development, nanostructured materials face considerable challenges in bringing them closer to successful and widespread practical application.

The aim of this Special Issue of the International Journal of Molecular Sciences is to bring together original and high-quality research papers covering the most recent advances as well as comprehensive reviews addressing state-of-the-art topics in the field of the design, synthesis, and chemical/physicochemical characterization of nanostructured drug delivery systems.

Preferred topics:

  • Modeling of drug–carrier interactions by advanced measuring methods;
  • Design and synthesis of biocompatible and nanostructured drug delivery particles;
  • Application of hydrogels, aerogels and polymer/surfactant associates as drug carriers;
  • Characterisation and modification of the drug dissolution process;
  • Encapsulation and controlled release of proteins, vitamins and minerals.

In advance, I would like to gratefully acknowledge the authors and reviewers who will participate to the elaboration of this Special Issue and that will contribute to the development of research based on the nanostructured drug delivery systems.

Dr. Ádám Juhász
Dr. Edit Csapó
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • nanostructured materials
  • drug delivery
  • drug-carrier interactions
  • hydrogel
  • aerogels
  • associated colloids
  • surfactants
  • macromolecules
  • porous materials
  • hybrid materials
  • controlled release

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Published Papers (2 papers)

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Research

27 pages, 7365 KiB  
Article
Different Drug Mobilities in Hydrophobic Cavities of Host–Guest Complexes between β-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water
by Giuseppina Raffaini, Stefano Elli, Michelina Catauro and Antonio D’Angelo
Int. J. Mol. Sci. 2024, 25(11), 5888; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms25115888 - 28 May 2024
Viewed by 409
Abstract
Cyclodextrins (CDs) are cyclic oligosaccharides able to form noncovalent water-soluble complexes useful in many different applications for the solubilization, delivery, and greater bioavailability of hydrophobic drugs. The complexation of 5-fluorouracil (5-FU) with natural or synthetic cyclodextrins permits the solubilization of this poorly soluble [...] Read more.
Cyclodextrins (CDs) are cyclic oligosaccharides able to form noncovalent water-soluble complexes useful in many different applications for the solubilization, delivery, and greater bioavailability of hydrophobic drugs. The complexation of 5-fluorouracil (5-FU) with natural or synthetic cyclodextrins permits the solubilization of this poorly soluble anticancer drug. In this theoretical work, the complexes between β-CD and 5-FU are investigated using molecular mechanics (MM) and molecular dynamics (MD) simulations in water. The inclusion complexes are formed thanks to the favorable intermolecular interactions between β-CD and 5-FU. Both 1:1 and 1:2 β-CD/5-FU stoichiometries are investigated, providing insight into their interaction geometries and stability over time in water. In the 1:2 β-CD/5-FU complexes, the intermolecular interactions affect the drug’s mobility, suggesting a two-step release mechanism: a fast release for the more exposed and hydrated drug molecule, with greater freedom of movement near the β-CD rims, and a slow one for the less-hydrated and well-encapsulated and confined drug. MD simulations study the intermolecular interactions between drugs and specific carriers at the atomistic level, suggesting a possible release mechanism and highlighting the role of the impact of the drug concentration on the kinetics process in water. A comparison with experimental data in the literature provides further insights. Full article
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13 pages, 2152 KiB  
Article
Lipid-Based Nanocarriers for Delivery of Neuroprotective Kynurenic Acid: Preparation, Characterization, and BBB Transport
by Ádám Juhász, Ditta Ungor, Norbert Varga, Gábor Katona, György T. Balogh and Edit Csapó
Int. J. Mol. Sci. 2023, 24(18), 14251; https://0-doi-org.brum.beds.ac.uk/10.3390/ijms241814251 - 18 Sep 2023
Cited by 1 | Viewed by 894
Abstract
Encapsulation possibilities of an extensively investigated neuroprotective drug (kynurenic acid, KYNA) are studied via lipid-based nanocarriers to increase the blood–brain barrier (BBB) specific permeability. The outcomes of various preparation conditions such as stirring and sonication time, concentration of the lipid carriers and the [...] Read more.
Encapsulation possibilities of an extensively investigated neuroprotective drug (kynurenic acid, KYNA) are studied via lipid-based nanocarriers to increase the blood–brain barrier (BBB) specific permeability. The outcomes of various preparation conditions such as stirring and sonication time, concentration of the lipid carriers and the drug, and the drug-to-lipid ratio are examined. Considering the experimentally determined encapsulation efficiency, hydrodynamic diameter, and ζ-potential values, the initial lipid and drug concentration as well as the stirring and sonication time of the preparation were optimized. The average hydrodynamic diameter of the prepared asolectin-(LIP) and water-soluble lipopolymer (WSLP)-based liposomes was found to be ca. 25 and 60 nm under physiological conditions. The physicochemical characterization of the colloidal carriers proves that the preparation of the drug-loaded liposomes was a successful process, and secondary interactions were indicated between the drug molecule and the polymer residues around the WSLP membrane. Dissolution profiles of the active molecule under physiological conditions were registered, and the release of the unformulated and encapsulated drug is very similar. In addition to this outcome, the in vitro polar brain lipid extract (porcine)-based permeability test proved the achievement of two- or fourfold higher BBB specific penetration and lipid membrane retention for KYNA in the liposomal carriers relative to the unformatted drug. Full article
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