MetaParticles allow versatile modeling of soft particles in the biological environment

What is it about?

Nanoparticles are used to efficiently deliver drugs into diseased cells. They are engineered from rigid or soft platforms of various shapes and sizes. We developed a versatile modular coarse-grained model to simulate the behaviour of soft particles in a biological environment, called MetaParticles. The Metaparticles incorporate relevant mechanical and physical properties particularly their flexibility - a feature often overlooked when modeling nanoparticles in a biological environment.

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Photo by Carlos Felipe Ramírez Mesa on Unsplash

Photo by Carlos Felipe Ramírez Mesa on Unsplash

Why is it important?

To develop more effective and actively targeting nano transporters, we need to understand the behavior of nanoparticles within biological environments, focusing specifically on their interactions with cellular membranes. The membrane serves as a protective barrier that regulates the passage of macromolecules and nanoparticles; its disruption can have severe, potentially fatal consequences for the cell. Gaining insights into the mechanisms of cellular uptake and membrane disruption will aid in the development of more effective actively targeted nanotransporters. Coarse-grained simulations allow us to explore experimentally relevant phenomena while preserving key properties of both the membrane and the nanoparticle. However, a critical property often overlooked is the intrinsic flexibility of nanoparticles. This flexibility arises from variations in their hydrodynamic radius due to ligand decoration, biomolecular coverage, or the use of soft-core platforms like proteins and micelles. Overlooking this factor limits our understanding of cellular uptake mechanisms and hinders the design of improved drug delivery carriers. Therefore, we developed the MetaParticles, particles that incorporate the unique mechanical and physical properties of nanoparticles in the biological environment. The MetaParticle model is modular, tuneable and responsive and serves as a stepping stone in this direction. By gaining a mechanistic understanding of the underlying processes, we can leverage this knowledge to develop smart (controllable) nanocarriers.

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