Dynamics Targeting Through Cell Membrane: MD Simulation Approach in CNT-Based Drug Delivery Application

Abstract

Nowadays, a carbon nano (CN) structure is used in a variety of biomedical applications, including cancer disease diagnostics and subsequent treatments. Among the various types of CN, carbon nanotube (CNTs) has been implemented by many research groups for an array of life science applications. Because of the microstructure shape of Nanotube they can be widely used in carrier and separation applications. Conjugation of CNTs with proteins, drugs and magnetic nanoparticles provides the chance of targeting and trajectory manipulation. Moreover, the force needed for crossing through a specific area such as cell membrane or tissue is essential for successful targeting. In this paper, we studied functionalized CNTs' controlled delivery crossing through the cell membrane. All interaction effects have been carried out by MD (Molecular Dynamics Simulation). Mathematical modelling of the cell membrane and proposed delivery system as an input-output (velocity-force) system has been considered. Dynamics equations of CNTs were defined in the time and frequency domain using control theory methods. This system dynamic helps the researcher to analyze the movement dynamics of an accurate model during the time. Data are collected from MD simulation and a linear model is estimated. This model has been calculated by the identification method based on the MATLAB toolbox.