Tuning the surface chemistry of 2D MXenes for optimizing the micellization of bio-targeted carriers

Abstract

Using nanocarriers to deliver drugs to cancer cells is an effective way to treat cancer. However, this method faces several challenges, including the instability of nanocarriers, and the appropriate method for the synthesis of nanocarriers. In this regard, in this work, the effect of the two-dimensional MXene in increasing the stability of riboflavin-targeted PLGA-PEG nanocarriers for delivering doxorubicin (Dox) has been investigated using molecular dynamics simulation. In this study, the role of surface chemistry engineering of MXene in optimizing Dox-loaded micelles has been studied. On the other hand, the effect of the microfluidic method on the synthesis of nanocarriers has been investigated. According to the obtained results, the use of MXene has outstandingly increased the stability of Dox-loaded nanocarriers. MXene increases the attraction energy between micelles from −600 Kj/mol to −1700 Kj/mol. But the use of hydrophilic functional groups in the MXene has reduced the stability of nanocarriers. The molecular analysis approves the greater stability of nanocarriers synthesized by the microfluidic method in comparison to non-microfluidic method. Finally, this could lead to the widespread use of microfluidic synthesis as well as MXene in the synthesis of nanocarriers.