Supercomputer reveals how size could shape the future of nanomedicine
Scientists have long been interested in cellular nanodiscs, tiny particles made from natural cell membranes that mimic many of the functions of living cells. While previous studies demonstrated the therapeutic potential of nanodiscs for drug delivery, detoxification and vaccines, one fundamental question remained unanswered: How does size influence how well they work?
Scientists at the University of California San Diego have revealed that the size of cellular nanodiscs significantly influences their performance in various biomedical applications. Traditionally believed to be less impacted by size, these tiny cell membrane-derived particles, when studied, showed that smaller nanodiscs outperformed larger ones in binding biological targets, neutralizing bacterial toxins, and providing protection in mice.
The discovery, detailed in the journal Small, establishes new design principles for developing more effective nanomedicines. By combining laboratory experiments with high-performance computing, researchers engineered nanodiscs of different sizes, and used NSF ACCESS allocations on the San Diego Supercomputer Center's Expanse system to simulate and understand why size affects biological performance.
The simulations, closely matching laboratory findings, revealed that smaller nanodiscs diffuse more rapidly and exist in greater numbers, increasing their likelihood of encountering and binding biological targets. This study highlights the growing role of computational biology in biomedical research, allowing scientists to predict and optimize the behavior of complex biological systems before experimental testing, ultimately accelerating the development of safer and more effective nanotechnologies.
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