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Heterocyclic Compounds: Design, Synthesis and Pharmacological Activity

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

Deadline for manuscript submissions: 31 July 2026 | Viewed by 748

Special Issue Editors


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Guest Editor
Laboratório de Química Medicinal e Síntese Orgânica, Universidade Estadual de Goiás, Anápolis, Brazil
Interests: organic chemistry; organic synthesis; biological activity; catalysis; structural elucidation by spectrometric techniques

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Guest Editor Assistant
Department of Chemistry and Biochemistry, Medical University Pleven, Pleven, Bulgaria
Interests: heterocyclic chemistry; organic synthesis; biological activity; NMR spectroscopy

Special Issue Information

Dear Colleagues,

Heterocyclic compounds represent one of the most significant classes in organic and medicinal chemistry, primarily because their ring systems contain heteroatoms such as nitrogen, oxygen, and sulfur, which impart unique structural and electronic properties to them. The rational design of these compounds relies on molecular modeling, combinatorial chemistry, and structural modifications aimed at enhancing their interaction with biological targets.

The synthetic approaches to heterocycles encompass both classical methods, such as condensation and cyclization, and modern strategies, including transition-metal-catalyzed reactions, multicomponent reactions, and sustainable methodologies involving green chemistry principles, heterogeneous catalysis, and ionic liquids.

From a pharmacological perspective, heterocyclic derivatives are fundamental scaffolds in drug discovery, exhibiting diverse biological activities such as anticancer, antimicrobial, antiviral, anti-inflammatory, and antioxidant properties. Their structural diversity provides a versatile platform for the development of novel bioactive molecules with improved selectivity and potency.

In conclusion, the design, synthesis, and pharmacological evaluation of heterocyclic compounds remain a cornerstone of medicinal chemistry, combining synthetic innovation with therapeutic relevance.

Dr. Luciana Machado Ramos
Guest Editor

Dr. Aleksandar Pashev
Guest Editor Assistant

Manuscript Submission Information

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Keywords

  • heterocyclic compounds
  • drug design
  • multicomponent reactions
  • green chemistry
  • pharmacological activity
  • medicinal chemistry

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Published Papers (1 paper)

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Research

18 pages, 722 KB  
Article
Structure–Activity Relationships of Hemocompatible Cationic 6-Azaindole Pyridinium Salts: Antimicrobial and Anticancer Activity
by Roxana Ciorteanu, Ioana C. Marinas, Catalina Ionica Ciobanu, Ionel I. Mangalagiu and Ramona Danac
Molecules 2026, 31(7), 1220; https://doi.org/10.3390/molecules31071220 - 7 Apr 2026
Viewed by 515
Abstract
A series of 6-azaindole pyridinium derivatives were synthesized, structurally characterized, and evaluated for their antimicrobial (against Staphylococcus aureus, Escherichia coli, and Candida albicans) and anticancer properties (against NCI 60 panel). Hemocompatibility was evaluated using the hemolytic index, while ADME properties [...] Read more.
A series of 6-azaindole pyridinium derivatives were synthesized, structurally characterized, and evaluated for their antimicrobial (against Staphylococcus aureus, Escherichia coli, and Candida albicans) and anticancer properties (against NCI 60 panel). Hemocompatibility was evaluated using the hemolytic index, while ADME properties were estimated using in silico methods. Structure–activity relationship analysis indicated that para-substitution of the phenyl ring, particularly with halogen or methoxy groups, influences antimicrobial activity, selectivity toward Gram-positive bacteria, and hemocompatibility. Compounds 2b and 2c showed the most notable antimicrobial effects, including inhibition of microbial adhesion at hemocompatible concentrations. Compound 2b exhibited growth inhibition against cancer cells, showing 57% percent growth inhibition (PGI) against the MDA-MB-468 breast cancer cell line at 10 mM. Overall, these results highlight 6-azaindole pyridinium salts as a promising class of compounds for further investigation. Full article
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