Structure Modification and Metabolic Pathway Optimizations of Anticancer Drugs
Yuchen Zhang · Highlights in Science Engineering and Technology · 2025
Anti-cancer drugs have a critical position in modern medicine, and their structural modification and metabolic pathway optimization are key strategies to enhance efficacy and safety. Through the introduction of functional groups, changes in molecular ring structure, and covalent and non-covalent modifications, the pharmacokinetic properties of anticancer drugs can be optimized, which can significantly improve their stability, bioavailability, and targeting, as well as reduce toxic side effects. This paper reviews the main strategies for structural modification of anticancer drugs, including functional group addition, molecular ring modification, covalent and non-covalent modification, and analyses the case of metabolic pathway optimization of classical anticancer drugs such as paclitaxel and Adriamycin. These optimizations resulted in significant improvements in the metabolic stability and therapeutic efficacy of the drug. In addition, strategies for the generation and reduction of toxic metabolites, such as reduction of toxic metabolites through the combination of liposome encapsulation, nanoparticle modification, and metabolic inhibitors, are discussed in this paper. Despite significant advances in structure modification and metabolism optimization in anticancer drug development, drug metabolism prediction and individual variability are still challenges that need to be addressed. In the future, combining precision medicine, genomics, big data and artificial intelligence technologies, personalized design of anti-cancer drugs and optimization of metabolic pathways are expected to achieve more efficient and safer cancer treatment options.