Synthesis of a novel polysaccharide natural functional monomer for imprinted hydrogel microsphere preparation and targeted recognition of anti-tumor drug 7-xylulose-10-deacetylpaclitaxel

In this study, natural polysaccharides were first modified to synthesize natural functional monomers (NFMs). Subsequently, a natural novel NFM-based imprinted hydrogel microsphere was prepared for the specific recognition and enrichment of 7-xylulose-10-deacetylpaclitaxel (7-X-10-DTA). Molecular dynamics computational simulations were employed to screen and compare the functional monomers. Subsequently, the optimal preparation and application conditions of NMIHM were determined, with a maximum adsorption capacity of 71.77 mg mL −1 . The adsorption behavior of NMIHM for 7-X-10-DTA conforms to the pseudo-second-order kinetic model and the Langmuir model for monolayer adsorption, representing a spontaneous exothermic process. When used as a solid-phase extraction filler, NMIHM increased the content of 7-X-10-DTA by 13.36 times after enrichment in Taxus × media Rehde. The 7-X-10-DTA extracted in this study exhibited low half-maximal inhibitory concentration (IC50) values of 0.3205 μM and 0.7636 μM against cervical cancer Hela cells and prostate cancer PC-3 cells, respectively, demonstrating a more potent killing effect on these two types of cancer cells. This research is expected to accelerate the research and development of natural functional monomers and the advancement of molecular imprinting technology, thereby promoting the rapid development of practical separation applications.