Investigation of Boron Nitride Nanotube as a Potential Delivery System for Anti-Cancer RNA Aptamer by Molecular Dynamics Simulation

Boron nitride nanotubes (BNNTs) with distinct properties of their own like to be nontoxic to health and environment due to their chemical inertness and structural stability are more suitable for medical applications such as drug delivery. In comparison to the antibodies, RNA aptamers have numerous advantages such as high specificity and affinity that made them an excellent therapeutic agent to identify and decrease diseased cells in the blood stream.The adsorption and immobilization of RNA Aptamer onto the bio-compatible BNNT were studied by molecular dynamics simulation at the temperature of 310 K. After equilibration, heating and 60 ns production molecular dynamic runs, it was found that the considered RNA Aptamer was adsorbed and immobilized onto the BNNT. The structural parameters, including root-mean-square deviation and fluctuation, and the normalized number of hydrogen bonds between adsorbed residues and surrounded waters before and after adsorption, were measured and discussed. All the collected datas are very promising, suggesting the enabling of BNNT exploitation in nanomedicine as nanotransducers and nanocarriers.

کلیدواژه ها:

Drug Delivery ، RNA Aptamer ، Bio-Compatible Nanotube ، Molecular Dynamics Simulation