The study of the interaction between nanoparticles and living cell is the fundamental study that can be applied for the efficient drug delivery. In this work, we aim to study and design gold nanoparticles (AuNPs) for the drug delivery by a computer simulation. Computationally, the interaction between AuNPs and cell membrane was studied by coarse-grained molecular dynamic simulation which is suitable for a large complex system. The studied parameters are sizes, varied from 2 nm to 10 nm in diameter, and shapes including (i) spherical NP, (ii) nanorod and (iii) hexapod. The results show that, for sphere-shaped NP, small nanoparticles (2-8 nm in diameter) tend to penetrate across cellular membrane via direct translocation. Whereas, the 10-nm-in-diameter NP is able to form the vesicle (endosome) leading to non-specific endocytosis. Unlike the spherical NPs, rod-shaped and hexapod-shaped NPs are unable to perform endocytosis even they have exactly the same diameter as the spherical counterpart. Our findings are very crucial and will pave the way for the design of the targeted drug delivery.
Keywords : Cellular uptake: Gold nanoparticles (AuNPs): Endocytosis: Size and shape effect
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