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Heterocycles: Design, Synthesis and Biological Evaluation, 4th Edition

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

Deadline for manuscript submissions: 31 May 2026 | Viewed by 843

Special Issue Editors


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Guest Editor
Department of Inorganic Chemistry, Wroclaw Medical University, Borowska 211a, 50-556 Wroclaw, Poland
Interests: medicinal chemistry; drug interactions; molecular docking; plasma proteins; biological activity; drug design; spectroscopic methods; computational chemistry
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Department of Medicinal Chemistry, Wroclaw Medical University, Borowska 211, 50-556 Wroclaw, Poland
Interests: medicinal chemistry; organic synthesis; heterocycles; drug design; pharmaceutics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Heterocycles constitute a major class of organic compounds. They have applications in many fields of science, such as chemistry, pharmacy, and medicine. As many organic compounds with heterocyclic rings display biological activity, including anticancer, antibacterial, and anti-inflammatory functions, they represent robust drug candidates. In preclinical research, the design of more effective and selective novel compounds with promising biological activities and minimal side effects is critical, as is the development of new strategies and a greater variety of therapeutic options. Other areas of importance include in silico approaches to the design and development of more accessible and greener synthesis methods. These areas offer ample opportunity for extensive research into heterocycles.

This Special Issue aims to present recent studies on the design, synthesis, and biological evaluation of heterocycle compounds. Researchers working in this field are invited to submit original research papers and review articles to this Special Issue.

Dr. Edward Krzyżak
Dr. Piotr Świątek
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 250 words) can be sent to the Editorial Office for assessment.

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

  • heterocycles
  • organic synthesis
  • drug design
  • biological activity
  • medicinal chemistry

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Published Papers (2 papers)

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Research

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15 pages, 2211 KB  
Article
Structural and Spectroscopic Study of Benzoperimidines Derived from 1-Aminoanthraquinone and Their Application to Bioimaging
by Elena Kirilova, Armands Maļeckis, Muza Kirjušina, Ligita Mežaraupe, Ilze Rubeniņa, Aija Brakovska, Veronika Pavlova, Sanita Kecko, Inta Umbraško, Vladimir Kiyan, Lyudmila Lider, Aleksandrs Pučkins and Sergey Belyakov
Molecules 2025, 30(22), 4472; https://doi.org/10.3390/molecules30224472 - 19 Nov 2025
Viewed by 358
Abstract
In this research, we studied the synthesis and characterization of a novel amidine derivative of benzoperimidine derived from 1-aminoanthraquinone, focusing on its emission properties and potential applications in confocal laser scanning microscopy. The synthesized compound exhibited pronounced solvatochromic behavior in various solvents. Spectroscopic [...] Read more.
In this research, we studied the synthesis and characterization of a novel amidine derivative of benzoperimidine derived from 1-aminoanthraquinone, focusing on its emission properties and potential applications in confocal laser scanning microscopy. The synthesized compound exhibited pronounced solvatochromic behavior in various solvents. Spectroscopic analysis, including 1H-, 13C-, and mass spectrometry, confirmed the chemical structure. The structure of three compounds was also determined using X-ray diffraction analysis; this study revealed the structural features of these substances in the solid state. The compound’s antimicrobial activity was evaluated using the agar diffusion method with the bacterium Bacillus subtilis subsp. Spizizenii. Furthermore, the study introduces a dye designed for imaging of the parasitic flatworm Opisthorchis felineus, demonstrating its potential in visualizing biological specimens. Full article
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Review

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93 pages, 39764 KB  
Review
Recent Advances in Synthetic Isoquinoline-Based Derivatives in Drug Design
by Łukasz Balewski and Anita Kornicka
Molecules 2025, 30(24), 4760; https://doi.org/10.3390/molecules30244760 - 12 Dec 2025
Viewed by 315
Abstract
Compounds based on an isoquinoline scaffold (benzo[c]pyridine) display a broad spectrum of biological activities. In recent years, studies have focused mainly on their anticancer properties. Their antiproliferative effects are associated with diverse mechanisms that include targeting PI3K/Akt/mTOR signaling pathways and reactive [...] Read more.
Compounds based on an isoquinoline scaffold (benzo[c]pyridine) display a broad spectrum of biological activities. In recent years, studies have focused mainly on their anticancer properties. Their antiproliferative effects are associated with diverse mechanisms that include targeting PI3K/Akt/mTOR signaling pathways and reactive oxygen species or inducing apoptosis and cell cycle arrest. Furthermore, isoquinolines may inhibit microtubule polymerization, topoisomerase, or tumor multidrug resistance. Recent studies have also shown that these compounds may act as effective antimicrobial, antifungal, antiviral, and antiprotozoal agents. Moreover, it has also been demonstrated that isoquinoline derivatives exhibit potent anti-Alzheimer effects, alleviating central nervous system functions. Additionally, they possess anti-inflammatory and antidiabetic properties. Due to the presence of donor nitrogen, the isoquinoline core constitutes an appropriate ligand that may be employed for the development of metal complexes with improved pharmacological properties. A number of chelates containing copper, iridium, or platinum were found to exhibit prominent biological activity, which places them in a leading position for the development of effective medications. This review summarizes the recent development of synthetic isoquinoline-based compounds with proven pharmacological properties in the period of 2020–2025. Also, other biomedical applications for synthetic isoquinoline derivatives are provided. Full article
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