Design, Synthesis and Evaluation of Anticancer Agents

Dear Colleagues,

The discovery and development of novel anticancer agents remain critical in addressing the persistent challenges of tumor resistance, off-target toxicity, and the limited efficacy of current therapies. This Special Issue aims to highlight recent advances in the molecular design, synthesis, and preclinical evaluation of innovative anticancer compounds.

We invite original research and review articles focusing on chemically diverse scaffolds, including heterocycles, metal-based complexes, molecular hybrids, and bioactive natural product derivatives. Submissions emphasizing structure–activity relationship (SAR) studies, mechanism-driven design, and computational approaches, such as molecular docking, pharmacophore modeling, and ADMET prediction, are particularly welcome.

Research exploring molecular targets such as kinases, topoisomerases, epigenetic regulators, and tubulin, as well as studies employing in vitro and ex vivo models to assess antiproliferative activity, target engagement, and selectivity, will be of special interest.

By bringing together interdisciplinary approaches in synthetic chemistry, molecular pharmacology, and drug discovery, this Special Issue seeks to advance the development of next-generation anticancer therapeutics with improved safety and efficacy profiles.

Dr. Gourav Kumar
Guest Editor

Manuscript Submission Information

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