<p>➀ The study investigates the potential of iron-doped boron nitride nanoparticles (Fe-BNNPs) as nanocarriers for Anastrozole, an aromatase inhibitor used in breast cancer treatment.</p><p>➁ DFT analysis reveals strong binding affinity between Anastrozole and Fe-BNNPs, with optimized release mechanisms and targeted therapy potential.</p><p>➂ The research suggests that Fe-BNNPs could enhance therapeutic efficiency by improving drug stability and minimizing side effects.</p>