Monte Carlo Simulation-Guided Design of a Thorium-Based Metal-Organic Framework for Efficient Radiotherapy-Radiodynamic Therapy.
| Publication Type | Academic Article |
| Authors | Xu Z, Luo T, Mao J, McCleary C, Yuan E, Lin W |
| Journal | Angew Chem Int Ed Engl |
| Volume | 61 |
| Issue | 46 |
| Pagination | e202208685 |
| Date Published | 10/17/2022 |
| ISSN | 1521-3773 |
| Keywords | Metal-Organic Frameworks, Nanostructures, Colonic Neoplasms |
| Abstract | High-Z metal-based nanoscale metal-organic frameworks (nMOFs) with photosensitizing ligands can enhance radiation damage to tumors via a unique radiotherapy-radiodynamic therapy (RT-RDT) process. Here we report Monte Carlo (MC) simulation-guided design of a Th-based nMOF built from Th6 -oxo secondary building units and 5,15-di(p-benzoato)porphyrin (DBP) ligands, Th-DBP, for enhanced RT-RDT. MC simulations revealed that the Th-lattice outperformed the Hf-lattice in radiation dose enhancement owing to its higher mass attenuation coefficient. Upon X-ray or γ-ray radiation, Th-DBP enhanced energy deposition, generated more reactive oxygen species, and induced significantly higher cytotoxicity to cancer cells over the previously reported Hf-DBP nMOF. With low-dose X-ray irradiation, Th-DBP suppressed tumor growth by 88 % in a colon cancer and 97 % in a pancreatic cancer mouse model. |
| DOI | 10.1002/anie.202208685 |
| PubMed ID | 36149753 |
| PubMed Central ID | PMC9647855 |