Heterocyclic Compounds in Targeted Cancer Therapy: Advances in Medicinal Chemistry and Drug Development
A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: 31 January 2026 | Viewed by 113
Special Issue Editors
Interests: medicinal chemistry; bioactive heterocyclic compounds; computer-aided drug design; targeted cancer therapy; molecular modeling; organic synthesis
Interests: natural and synthetic bioactive small molecules; computer-aided drug design; covalent inhibition; vectorial chemistry; antibiotic and anticancer therapies
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Heterocyclic compounds represent a cornerstone of modern medicinal chemistry, forming the structural basis of a vast number of therapeutic agents already approved for clinical use. Their unique electronic and conformational properties enable selective interactions with biological targets, making them particularly valuable building blocks in the development of targeted cancer therapies. The continuous evolution of synthetic methodologies, computational approaches, and biological screening techniques has led to the discovery of novel heterocyclic derivatives with improved pharmacological profiles and reduced side effects.
By bringing together cutting-edge research in medicinal chemistry, computational drug discovery, and pharmacology, this Special Issue will provide a platform for discussing innovative strategies to develop next-generation anticancer agents.
This Special Issue of Pharmaceuticals will highlight recent advances in the design, synthesis, and application of heterocyclic compounds in targeted cancer therapy. We invite researchers in academia and industry to contribute their latest findings, fostering collaboration and knowledge exchange in this rapidly evolving field. We welcome original research articles and comprehensive reviews covering a broad range of topics in the anticancer drug discovery field, including, but not limited to, rational drug design, structure–activity relationship (SAR) studies, computational modeling and in silico screening, innovative synthetic strategies, and evaluations of the bioactivity of novel heterocyclic derivatives. Contributions focusing on green and sustainable approaches to heterocyclic synthesis, natural product-derived heterocycles, and the elucidation of the molecular mechanisms underlying their anticancer activity are also encouraged.
Dr. Gabriele La Monica
Dr. Annamaria Martorana
Guest Editors
Manuscript Submission Information
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Keywords
- heterocyclic compounds
- targeted cancer therapy
- medicinal chemistry
- structure–activity relationship (SAR)
- computational drug design
- small-molecule therapeutics
- synthetic methodologies
- bioactive heterocycles
- green chemistry in drug discovery
- in silico screening
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