Adhesion dynamics of Janus nanocarriers to endothelial cells: A dissipative particle dynamics study.

Janus nanocarriers (NCs) provide promising features in interfacial applications such as targeted drug delivery. Herein, we use dissipative particle dynamics simulations to study the adhesion dynamics of NCs with Janus ligand compositions to the endothelial cell as a function of a series of effects, such as the initial orientation, ligand density, shape, and size of Janus NCs. The Janus NCs, with its long axis parallel to the endothelial glycocalyx (EG) layer, has the best penetration depth due to its lower potential energy and the lowest shell entropy loss.

Adhesion dynamics of functionalized nanocarriers to endothelial cells: a dissipative particle dynamics study.

Targeted drug delivery to endothelial cells utilizing functionalized nanocarriers (NCs) is an essential procedure in therapeutic and diagnosis therapies. Using dissipative particle dynamics simulation, NCs have been designed and combined with an endothelial environment, such as the endothelial glycocalyx (EG) layer, receptors, water, and cell wall. Furthermore, the energy landscapes of the functionalized NC with the endothelial cell have been analyzed as a function of properties such as the shape, size, initial orientation, and ligand density of NCs.