The unique properties and wide range of uses of core-shell nanoconstructs have attracted significant attention in the realm of cancer treatments. This study focuses on the surface chemistries and targeting strategies used in core-shell nanoconstructs for cancer thermodynamics. The stability, biocompatibility, and ability to target cancer cells of these nanoconstructs are significantly influenced by the surface chemistry of these materials. A range of surface modification methods have been employed to improve the specificity of core-shell nanoconstructs against cancer cells, such as functionalization with targeting ligands, polymers, and biomolecules. These targeting ligands, which attach to receptors or antigens overexpressed on cancer cells, can be antibodies, peptides, aptamers, or small molecules. This allows for targeted drug delivery and imaging. Furthermore, the surface characteristics and targeting effectiveness of nanoconstructs can be impacted by the selection of core and shell materials. The shell materials, which are usually polymers or lipids, offer stability and biocompatibility, while the core materials, which include gold nanorods, quantum dots, and magnetic nanoparticles (NPs), can provide imaging and therapeutic functions. The application of core-shell nanoconstructs in cancer theragnostics is further enhanced by the incorporation of imaging modalities, including fluorescence imaging, positron emission tomography (PET), computed tomography (CT), and magnetic resonance imaging (MRI). Personalized cancer therapy is aided by these imaging modalities, which enable noninvasive monitoring of drug delivery and treatment response. The effectiveness of core-shell nanoconstructs in cancer theragnostics is largely dependent on their surface chemistries and targeting strategies. Subsequent investigations ought to concentrate on refining these approaches in order to enhance the therapeutic efficaciousness, biocompatibility, and specificity of core-shell nanoconstructs for the treatment of cancer.