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Molecular Approaches to Drug Discovery and Development

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (30 April 2024) | Viewed by 1763

Special Issue Editor


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Guest Editor
Department of Chemistry, University of Patras, 26504 Patras, Greece
Interests: organic synthesis; medicinal chemistry; drug delivery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Drug discovery involves many different stages, such as target identification and validation, hit identification, hit-to-lead optimization, and the identification of a candidate for further development. Drug development, on the other hand, includes the optimization of chemical synthesis and drug formulation, preclinical studies, and, eventually, market approval. It is evident that drug development, from the discovery of a promising target to the creation of usable medication, is a costly, long process. It has also become clear that the need for faster drug development requires interdisciplinary cooperation within academia, as well as increased collaboration between industry and academia with a common objective of constantly providing quality medicines.

Organic chemistry has had a major impact on drug discovery by providing simple and efficient, low-cost synthetic pathways, novel methodologies, and reaction mechanisms for the synthesis of new candidate molecules. In addition to drug discovery, organic chemistry is greatly involved in drug development and optimization. The rapid development of biotechnological drugs and synthetic drug delivery systems has re-enforced the role of organic chemistry, as there is a clear need for the development of targeting drugs, nano-drugs, and synthetic drug delivery systems in a controllable, reproducible, and well-defined manner.

This Special Issue will collect the contributions of various types of molecular approaches to drug discovery and development, i.e., the synthesis of potential bioactive molecules and drugs and drug derivatives, including targeted drugs and synthetic novel-type drug delivery systems (DDS). The following categories will form part of this Special Issue: liquid- and solid-phase synthesis methods for the development of bioactive molecules and drugs of any type (small molecules, macromolecules, peptides and their derivatives); methods used to extend drugs’ self-lives (e.g., lipidation, pegylation, chemical/structural modifications, cyclization, etc.); methods used to enhance targeting ability; the development of targeted drug delivery systems; synthetic approaches to the latest oligonucleotide-mediated gene silencing concept. Molecular mechanisms of innovating synthetic approaches/problem solving also form part of this Special Issue. The development of innovative synthetic nano-drugs and vesicular drug delivery systems (DDS) that allow slow release and extend the drugs half-life (e.g., liposomes, nanoparticles, etc.) will also be considered for publication if the applied molecular approaches/chemistries used, either to the DDS or the drug itself, influence the fate of the drug after administration (e.g., synthetic modifications/functionalization, targeted drug-delivery systems, etc.). Initial biological and pharmacological evaluation (including preclinical evaluation) of the suggested compounds/systems is also welcome.

Dr. Spyridon Mourtas
Guest Editor

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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). 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

  • molecular approaches
  • molecular mechanisms
  • molecular rearrangements
  • liquid- and solid-phase synthesis
  • organic molecules
  • peptides
  • drugs
  • chemical modifications
  • organic synthesis
  • nano-drugs
  • synthetic drug delivery systems
  • targeting

Published Papers (1 paper)

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Research

20 pages, 2123 KiB  
Article
Synthesis of α,ω-bis-Mercaptoacyl Poly(alkyl oxide)s and Development of Thioether Cross-Linked Liposome Scaffolds for Sustained Release of Drugs
by Spyridon Mourtas, Georgios Kourmoulakis, Stavros Kremezis, Pavlos Klepetsanis and Sophia G. Antimisiaris
Molecules 2024, 29(6), 1312; https://doi.org/10.3390/molecules29061312 - 15 Mar 2024
Viewed by 531
Abstract
With the aim to develop novel scaffolds for the sustained release of drugs, we initially developed an easy approach for the synthesis of α,ω-homobifunctional mercaptoacyl poly(alkyl oxide)s. This was based on the esterification of the terminal hydroxyl groups of poly(alkyl oxide)s with suitably [...] Read more.
With the aim to develop novel scaffolds for the sustained release of drugs, we initially developed an easy approach for the synthesis of α,ω-homobifunctional mercaptoacyl poly(alkyl oxide)s. This was based on the esterification of the terminal hydroxyl groups of poly(alkyl oxide)s with suitably S-4-methoxytrityl (Mmt)-protected mercapto acids, followed by the removal of the acid labile S-Mmt group. This method allowed for the efficient synthesis of the title compounds in high yield and purity, which were further used in the development of a thioether cross-linked liposome scaffold, by thia–Michael reaction of the terminal thiol groups with pre-formed nano-sized liposomes bearing maleimide groups on their surface. The reaction process was followed by 1H-NMR, using a Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion NMR experiment (1H-NMR CPMG), which allowed for real-time monitoring and optimization of the reaction process. The thioether cross-linked liposomal scaffold that was synthesized was proven to preserve the nano-sized characteristics of the initial liposomes and allowed for the sustained release of calcein (which was used as a hydrophilic dye and a hydrophilic drug model), providing evidence for the efficient synthesis of a novel drug release scaffold consisting of nanoliposome building blocks. Full article
(This article belongs to the Special Issue Molecular Approaches to Drug Discovery and Development)
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