<p>Developing and evaluating enhanced biocomposites for medication delivery and bone regeneration is the main goal of this research. A unique wet precipitation chemical process was used to create calcium silicate (CaO–SiO₂) biocomposites, with different amounts of calcium hexaboride (CaB₆) incorporated as an additive. The biocomposite samples were subjected to varying compositions, and their physicochemical properties were assessed by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), and zeta potential tests. The samples' microstructures show submicron and nanoscale particles scattered or arranged in regular or irregular clusters. After adding CaB₆, the tested biocomposites' negative zeta potential dropped because of the positively charged Ca²⁺ ions from the compound on the material's surface. The biocomposites' drug loading and release capacities were assessed using the anti-cancer medication of 5-fluorouracil (5-FU). The biocomposites were evaluated for their capacity to regenerate bone through in vivo experiments conducted on a rat model. The healing score (7 for the WB7.5 sample) and the degree of bone formation were compared with the concentration of CaB₆ in the bio-composites. The findings revealed that the presence of CaB₆ had a substantial impact on both the healing score and bone formation. Increased amounts of CaB₆ resulted in higher healing scores and better bone production. Moreover, the bio-composites demonstrated prolonged drug release profiles (up to 45% after 30 days of immersion), indicating their potential as efficient drug carriers for localized bone treatments. The results emphasize the vital importance of CaB₆ in facilitating the process of bone repair and production using calcium silicate bio-composites. The biocomposites that have been produced show promise for bone regeneration applications. Patient outcomes may benefit from their ability to encourage bone growth and aid in healing.</p> Graphical Abstract <p></p>