Synthesis, Characterization, and Biological Evaluation of Small Molecules as Anticancer Agents
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Bioorganic Chemistry".
Deadline for manuscript submissions: 31 March 2026 | Viewed by 51
Special Issue Editor
Interests: drug design; molecular docking; molecular dynamics; hydrazones; anticancer activity; structure–activity relations
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Cancer continues to pose a global health challenge, necessitating the discovery of novel small-molecule therapeutics with improved efficacy and safety profiles. This Special Issue focuses on cutting-edge research in the design, synthesis, characterization, and preclinical evaluation of small-molecule anticancer agents. We welcome contributions addressing (1) rational drug design aided by computational tools (e.g., AI, molecular docking, QSAR, molecular dynamics simulations); (2) innovative synthetic methodologies for bioactive scaffolds; (3) advanced structural characterization (X-ray/NMR/MS) of novel compounds; (4) mechanistic studies targeting oncogenic pathways (e.g., kinase inhibition, epigenetic modulation); (5) rigorous biological evaluation, including in vitro cytotoxicity, apoptosis assays, and in vivo tumor models; (6) structure–activity relationship (SAR) studies to optimize drug-likeness; and (7) formulation strategies to enhance bioavailability. Both original research and review articles are invited to highlight interdisciplinary advances in medicinal chemistry, chemical biology, and translational oncology. This collection aims to accelerate the development of targeted, small-molecule therapies against hematologic and solid tumors.
Prof. Dr. Mariyana Atanasova
Guest Editor
Manuscript Submission Information
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Keywords
- anticancer small molecules
- medicinal chemistry
- drug design and synthesis
- structure–activity relationship
- targeted therapy
- apoptosis induction
- preclinical evaluation
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