Nanocarriers are nanoparticles designed to transport therapeutic agents or other substances to specific locations.
The project seeks to understand and replicate the valuable functions of extracellular vesicles (EVs) found in living organisms. These vesicles, secreted by various cells, are responsible for targeting specific tissues and selectively releasing their contents.
To achieve this, the project analyzed the functional properties of naturally occurring EVs to characterize their transport and targeting capabilities. As a case study, EVs produced in certain types of cancer were examined, specifically those known for their high selectivity toward osteoclasts鈥攂one-resorbing cells. The goal is to develop artificial analogs using synthetic nanoparticles that can deliver therapeutic cargo to targeted cells.
MIMIC-KeY aims to leverage the strategy used by cancer to invade cellular tissue in order to develop nanocarriers that can deliver drugs directly into osteoclasts. This technology has immediate applications for treating metabolic bone diseases that affect osteoclasts, and it could potentially be adapted for a wide range of diseases in the future.
The project, funded by the program, involves an international, multidisciplinary consortium consisting of four universities, two research centers, and one company, with expertise in biology, chemistry, pharmaceuticals, nanoengineering, molecular modeling, and nanoimaging.
The Computational Materials Science Laboratory (CMS Lab) at MEMTi, under the direction of Professor Giovanni Maria Pavan and with PhD Charly Empereur-Mot and PhD Claudio Perego, is handling the molecular modeling component of the project. Their goal is to utilize computational simulations to gain a detailed understanding of the structure and behavior of the engineered synthetic EVs, providing insights that exceed the resolution possible with experimental nanoimaging methods.
During the project, the CMS Lab studied various models of synthetic EVs, focusing on the lipid membranes that form the outer layer of these artificial vesicles. Using molecular models, the lab obtained detailed information on the structural properties resulting from different membrane compositions. Additionally, computational methods developed by the CMS Lab allowed for the analysis of the dynamic properties of the engineered EVs, particularly how the mobility of different molecular species influences the selective targeting capabilities of the synthetic EVs.
By characterizing both the global and local dynamics of the molecular species based on the composition and geometry of the membranes, the lab provided crucial insights for designing and engineering effective synthetic EVs, which were essential for the MIMIC-KeY consortium to advance the project.