Carboxyl-functionalized nitrogen-doped multiwalled carbon nanotubes (COOH-N-MWCNTs) have been successfully used for the delivery of various drugs, genes and proteins. Delivery and controlled release of the HIF-1α protein from the carrier is an important task, since its deficiency or excess leads to the development of hypoxia, cancer, cardiovascular and other diseases. Using the so-called self-consistent-charge density-functional tight-binding method and the quantum equations of motion, it was performed modeling and analysis of the electron-energy properties of the COOH-N-MWCNT/HIF-1α complex, it was determined the structural conditions for the effective attachment and delivery of the HIF-1α protein, it was described the conditions for wave diffusion during delivery and regulation of oxygen concentrations by the HIF-1α protein in biocells. It has been shown that the hybridization of electronic states plays a major role in diffuse relaxation, oxygen regulation, and the possibility of drug delivery. The nature of wave diffusion is determined by the hybridization of the -OH group of the HIF-1α protein and the carboxyl group of COOH-N-MWCNTs. Keywords: carbon nanotubes, hypoxia-induced factor HIF-1α, carboxyl group, electron density functional method in the tight binding approximation, method of quantum equations of motion, wave diffusion.

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Дата начала обработки статистических данных - 27 января 2016 г.