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- 2023
- 2022
Wave-diffusion delivery of the HIF-1α protein onto COOH-MWCNTs and regulation of oxygen in biocells
Bobenko N.G.
1, Shunaev V.V.
2, Egorushkin V. E.
1, Glukhova O. E.
2,3
1Institute of Strength Physics and Materials Science of Siberian Branch of Russian Academy of Sciences, Tomsk, Russia
2Department of Physics, Saratov State University, Saratov, Russia
3I. M. Sechenov First Moscow State Medical University, Moscow, Russia
2Department of Physics, Saratov State University, Saratov, Russia
3I. M. Sechenov First Moscow State Medical University, Moscow, Russia
Email: nbobenko@ispms.ru, vshunaev@list.ru, oeglukhova@yandex.ru
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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