@article{article_1716394, title={Molecular Docking Analysis Of Small Fullerene (C20, C22, C24) Nanoparticles With Lung (1X2J) And Breast (3HY3) Cancer Target Proteins}, journal={Turkish Computational and Theoretical Chemistry}, volume={9}, pages={77–85}, year={2025}, author={Kaya, Saadet}, keywords={Nanotechnology, Small fullerenes, Molecular docking, Nanoparticle}, abstract={Nanotechnology-based therapeutic approaches play a crucial role in the development of next-generation drug carriers and therapeutic agents, particularly in cancer treatment. In this study, the molecular interactions of small fullerene nanoparticles—C20, C22, and C24—with target proteins associated with lung cancer (PDB ID: 1X2J) and breast cancer (PDB ID: 3HY3) were investigated through molecular docking analysis. Each fullerene nanoparticle was docked separately with the specific target protein of the corresponding cancer type, and their binding energies and molecular interaction profiles were compared. The results demonstrated that small fullerenes can form strong and specific interactions with both lung and breast cancer target proteins. These findings suggest that small fullerene nanoparticles hold potential as biological agents or carrier systems in cancer therapy, providing a foundation for future advanced experimental studies. Additionally, HOMO-LUMO contour analyses and Molecular Electrostatic Potential (MEP) maps were visualized and interpreted to evaluate the electronic properties and potential reactive sites of the C20, C22, and C24 complexes.}, number={5}, publisher={Koray SAYIN}