Meniran (Phyllanthus niruri L.) embedded zeolitic imidazolate framework (ZIF-8) nanoparticle for cancer chemotherapy: supported molecular docking analysis.

Cancer is among the leading causes of mortality worldwide. Natural bioactive compounds like Meniran (Phyllanthus niruri L.) have been the focus of extensive research due to their potent anticancer properties. Nevertheless, drug delivery strategies may be necessary to encapsulate bioactive compounds, thereby reducing their toxicity and enhancing their stability. Herein, we successfully synthesized Meniran extract incorporated zeolitic imidazolate framework (ZIF-8) nanoparticles for anticancer therapy. Meniran-incorporated ZIF-8 nanoparticles possess unique advantages including well-distributed nanoparticles with rhombic dodecahedrons and excellent pH-responsiveness. In vitro analysis showed that Meniran-incorporated ZIF-8 nanoparticles have anticancer activity towards HeLa cells. Interestingly, computational simulations offer valuable insights into the molecular-level interaction mechanisms between ZIF-8 and specific proteins under cancer cells. As far as we are aware, this is the first report of natural bioactive compounds derived from Meniran encapsulated into nanoparticles as a drug delivery system, marking a significant advancement in the development of novel biomaterials for cancer treatment.