Influence of silicon nanocone on cell membrane self-sealing capabilities for targeted drug delivery -- computer simulation study

TL;DR

This study uses computer simulations to analyze how silicon nanocones affect cell membrane self-sealing, providing insights for safer targeted drug delivery using nanomaterials.

Contribution

It introduces a molecular dynamics simulation approach to understand nanocone-membrane interactions, highlighting the importance of initial nanocone position for minimal invasiveness.

Findings

Withdrawal force depends on initial nanocone depth

Deeper indentation causes more lipid removal

Hydrophobic interactions influence membrane response

Abstract

Efficient and non-invasive techniques of cargo delivery to biological cells are the focus of biomedical research because of their great potential importance for targeted drug therapy. Therefore, much effort is being made to study the characteristics of using nano-based biocompatible materials as systems that can facilitate this task while ensuring appropriate self-sealing of the cell membrane. Here, we study the effects of indentation and withdrawal of nanospear on phospholipid membrane by applying steered molecular dynamics (SMD) technique. Our results show that the withdrawal process directly depends on the initial position of the nanocone. The average force and work are considerably more significant in case of the withdrawal starting from a larger depth. This result is attributed to stronger hydrophobic interactions between the nanocone and lipid tails of the membrane molecules. Furthermore, when the indenter was started from the lower initial depth, the number of lipids removed from the membrane was several times smaller than the deeper indentation. The choice of the least invasive method for nanostructure-assisted drug delivery is crucial for possible applications in medicine. Therefore, the results presented in this work might be helpful in efficient and safe drug delivery with nanomaterials.