The increasing effective, detectable, and targeted anticancer systems are driven by the growing cancer incidence and the side effects of current drugs. Natural products like saponin and apigenin have emerged as valuable compounds for precise treatment. Recent advancements in bioactive metal-organic frameworks (MOFs) have introduced multifunctional particles suitable for cellular imaging, targeted drug delivery, and early cancer treatment. In this study, bioactive ZIF-67 and ZIF-8 materials were synthesized, incorporating zinc nitrate and natural bioactive compounds such as saponin and apigenin to sensitize and deliver the material to damaged cancer tissue. The characterization of these bioactive nanostructures involved FT-IR, TEM, EDX, FESEM, and BET analysis. The study quantified the loading and release of natural products within the ZIF structure. Cytotoxicity assessments of drug-loaded MOFs were conducted on human oral cavity carcinoma cell lines OSCC, Hep-G2, Raji, MCF-7, and PDL under in vitro conditions. Flow cytometry analysis identified the combination of bioactive ZIF-67 and saponins as the most effective in inducing apoptosis. Finally, a novel synthesis of bioactive MOF compounds was developed with dual applications: drug delivery and cancer imaging, featuring a unique attribute that minimizes side effects on normal cells.