Monte Carlo Simulation-Guided Design of a Thorium-Based Metal–Organic Framework for Efficient Radiotherapy-Radiodynamic Therapy
Ziwan Xu
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
These authors contributed equally to this work.
Search for more papers by this authorTaokun Luo
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
These authors contributed equally to this work.
Search for more papers by this authorJianming Mao
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorCaroline McCleary
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorEric Yuan
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorCorresponding Author
Prof. Dr. Wenbin Lin
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Department of Radiation and Cellular Oncology and Ludwig Center for Metastasis Research, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorZiwan Xu
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
These authors contributed equally to this work.
Search for more papers by this authorTaokun Luo
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
These authors contributed equally to this work.
Search for more papers by this authorJianming Mao
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorCaroline McCleary
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorEric Yuan
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorCorresponding Author
Prof. Dr. Wenbin Lin
Department of Chemistry, The University of Chicago, Chicago, IL-60637 USA
Department of Radiation and Cellular Oncology and Ludwig Center for Metastasis Research, The University of Chicago, Chicago, IL-60637 USA
Search for more papers by this authorAbstract
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.
Open Research
Data Availability Statement
The data that support the findings of this study are available from the corresponding author upon reasonable request.
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