ИСТИНА

Molecular dynamics simulation of a complex system, imitating a nanovehicle based on a carbon nanotube, is carried out. The system comprises a hydrated lipid bilayer, a nanotube soldered at one end, and certain molecule to be pushed through the membrane. A constant force in normal direction to membrane is applied to a molecule (in this case pentadecamerous polyalanine) located in the channel of the nanotube adjoining a lipid bilayer at right angle. Under the action of the force the oligopeptide gets into the membrane. This construction can be considered as a delivery vehicle which drives the peptide to the membrane surface. Tuning the nanotube (by adding of functional groups) one may achieve the selectivity of nanotube’s landing area on the cellular membrane. The pressure expulsing the peptide could arise as a result of the chemical reaction which makes the reaction mixture volume increase in the soldered nanotube. The chemical agents start reaction under the action of certain signal (for instance, a flash of light), and during the time in the order of a nanosecond the peptide finds oneself inside a cell. Different regimes of penetrations are considered in the reported simulation which is only a first step on the way to construction of such a nanomachine.