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Nitrogen-Containing Heterocyclic Scaffolds: Synthesis and Bioactivity

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

Deadline for manuscript submissions: 31 July 2026 | Viewed by 759

Special Issue Editors

Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Modena, Italy
Interests: organic synthetic methodologies; supramolecular chemistry; medicinal chemistry
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Modena, Italy
Interests: medicinal chemistry; organic synthesis; drug discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Heterocycles, particularly nitrogen-containing ones, are key structural motifs in drug discovery and development. Their widespread presence in pharmaceuticals is linked to their natural abundance in bioactive compounds, metabolic stability, and ability to form efficient interactions with biological targets. These features contribute to favorable pharmacokinetic and pharmacodynamic profiles, making heterocycles highly effective in modulating biological response.

Ongoing research aims to further enhance the efficiency, selectivity, and therapeutic potential of heterocyclic compounds. This multidisciplinary effort encompasses computational approaches (e.g. molecular docking, molecular dynamics), synthetic chemistry (including functionalization and scaffold diversification), and in-depth bioactivity studies.

By integrating synthetic innovation with biological insight, this Special Issue aims to highlight the central role of heterocycles in advancing modern therapeutics and welcomes contributions on all aspects of the medicinal chemistry of nitrogen-containing heterocyclic compounds. Topics may include the development of novel synthetic methodologies, exploration of structure–activity relationships, drug delivery strategies, and biological activity studies

Dr. Paolo Zardi
Dr. Alfonso Zambon
Guest Editors

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Keywords

  • heterocycles
  • heteroaromatics
  • drug discovery
  • organic synthesis
  • structure-activity relationship

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Published Papers (1 paper)

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Research

13 pages, 1254 KB  
Article
Synthesis of N-Difluoromethyl Benzothiazole (or Benzoxazole) Selenones as Novel Inhibitors Against Phytopathogenic Fungi
by Zihao Huang, Zhen Liu, Baixin Zhang, Jing Jiao and Ri-Yuan Tang
Molecules 2026, 31(2), 314; https://doi.org/10.3390/molecules31020314 - 16 Jan 2026
Viewed by 433
Abstract
Azole selenoureas exhibit diverse biological functions. However, the synthesis and biological activity of benzothiazole and benzoxazole selenones remained unexplored. Herein, we report the base-catalyzed synthesis of N-difluoromethyl benzothiazole (or benzoxazole) selenone derivatives, which demonstrated significant antifungal efficacy against Rhizoctonia solani, Phytophthora [...] Read more.
Azole selenoureas exhibit diverse biological functions. However, the synthesis and biological activity of benzothiazole and benzoxazole selenones remained unexplored. Herein, we report the base-catalyzed synthesis of N-difluoromethyl benzothiazole (or benzoxazole) selenone derivatives, which demonstrated significant antifungal efficacy against Rhizoctonia solani, Phytophthora infestans, Botrytis cinerea, and Fusarium oxysporum. Compound 3b exhibited exceptional antifungal activity against R. solani, with an EC50 of 2.10 mg/L. Moreover, it substantially inhibited sclerotia germination (81.5% at 9 mg/L) and formation (79.3% at 9 mg/L), surpassing octhilinone. The protective effect on detached rice leaves and rice seedlings was found to be 43.4% and 85.2% at 100 mg/L, respectively, and 64.4% and 89.4% at 200 mg/L. These findings suggest that benzothiazole and benzoxazole selenones represent promising lead compounds for sustainable plant disease management. Full article
(This article belongs to the Special Issue Nitrogen-Containing Heterocyclic Scaffolds: Synthesis and Bioactivity)
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