Emerging Trends in Metallodrug Development for Cancer: A Convergence of Chemistry, Biology, and AI

Cancer remains one of the leading causes of mortality worldwide, driving an ongoing search for more effective and selective therapies. Metallodrug development for cancer therapy is a rapidly evolving field that combines chemistry, biology, drug delivery science, and increasingly, artificial intelligence (AI). Metallodrugs leverage the diverse coordination chemistry of metal ions to interact with biological targets in ways that organic molecules cannot. Transition metals like platinum, ruthenium, gold, and copper, among others have been extensively explored due to their redox activity, tunable ligand exchange kinetics, and the ability to interact with biomolecular targets like DNA, enzymes, and mitochondrial proteins. A critical advancement in this field is the integration of targeted drug delivery systems, such as nanoparticles, liposomes, and polymeric carriers, which enhance the selective accumulation of metallodrugs in tumor tissues while minimizing off-target effects. Additionally, AI and machine learning are increasingly employed to optimize both drug design and delivery strategies by predicting pharmacokinetics, toxicity, and therapeutic efficacy.The goal of this Research Topic, "Emerging Trends in Metallodrug Development for Cancer: A Convergence of Chemistry, Biology, and AI," is to highlight cutting-edge research and interdisciplinary innovations driving the next generation of metallodrugs for cancer therapy. As the limitations of conventional chemotherapeutics, such as systemic toxicity, poor selectivity, and drug resistance, continue to pose significant clinical challenges, there is a growing need for innovative strategies that combine fundamental chemistry with biological insight and technological tools. This issue aims to bring together contributions that explore novel metal-based complexes, their biochemical mechanisms of action, advancements in targeted drug delivery systems, and the application of AI in drug design and optimization. By facilitating a cross-disciplinary exchange of ideas between chemists, biologists, pharmacologists, materials scientists, and data scientists, this special issue seeks to foster collaboration, inspire innovation, and ultimately contribute to the development of safer, more effective, and clinically translatable metallodrug-based therapies for cancer.We welcome Original Research, Review, Mini Review and Perspective articles on themes including, but not limited to: Design and synthesis of novel metal-based anticancer agents Biochemical and molecular mechanisms of action Redox-active and photoactivatable metallodrugs Metal-based theranostics Targeted and stimuli-responsive drug delivery systems Nanoformulations of metallodrugs AI- or machine learning-assisted drug discovery and optimizationSubmissions that emphasize translational potential, interdisciplinary approaches, or novel methodologies are particularly encouraged. The aim is to present a comprehensive view of the current landscape and future directions in this dynamic field, fostering cross-disciplinary collaboration to advance metallodrug-based cancer therapies. Topic editors: Jasmina Dimitrić Marković, Goran Kaluđerović, Silvia Chichiarelli Source: https://www.frontiersin.org/research-topics/72307/emerging-trends-in-metallodrug-development-for-cancer-a-convergence-of-chemistry-biology-and-ai