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https://dspace.ncfu.ru/handle/20.500.12258/18171
Title: | A proposed insight into the anti-viral potential of silver nanoparticles against novel coronavirus disease (COVID-19) |
Authors: | Povetkin, S. N. Поветкин, С. Н. |
Keywords: | Spike protein;Quantum and chemical modeling;COVID-19;Silver nanoparticles;Nanosilver |
Issue Date: | 2021 |
Publisher: | SCIENCEDOMAIN INT |
Citation: | Magomedov, M. A.; Shebzukhov, N. R.; Timerbulatova, T. R.; Amrakhov, E. M. O.; Adzhieva, M. E.; Murdalov, R. A.; Ilbekov, R. K.; Batalova, H. I.; Isaeva, M. M.; Ibragimov, A. M.; Povetkin, S. N. A proposed insight into the anti-viral potential of silver nanoparticles against novel coronavirus disease (COVID-19) // JOURNAL OF PHARMACEUTICAL RESEARCH INTERNATIONAL. - 2021. - Volume 33. - Issue 41B. - Page 79-93. - Article Number 72149. - DOI 10.9734/JPRI/2021/v33i41B32347 |
Series/Report no.: | JOURNAL OF PHARMACEUTICAL RESEARCH INTERNATIONAL |
Abstract: | This article presents a proposed insight into the anti-viral potential of silver nanoparticles against novel coronavirus disease (COVID-19). Possible mechanisms of influence of silver nanoparticles on the coronavirus are considered. Models of nanosilver complexes with spike protein of coronavirus amino acids were constructed using computer quantum-chemical modeling. The values of electron density distribution, highest occupied molecular orbital, lowest unoccupied molecular orbital and electron density distribution gradient for each constructed model are obtained. Analysis of the obtained data showed that the most energy-efficient interaction is the formation of the "tryptophan-nanosilver" complex (E=-5856.83 kkal/mol). According to the results of quantum chemical calculations, the most stable complex is the "cysteine-Ag nanoparticles" complex (Delta E = 0.16 a.u.) |
URI: | http://hdl.handle.net/20.500.12258/18171 |
Appears in Collections: | Статьи, проиндексированные в SCOPUS, WOS |
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WoS 1239 .pdf Restricted Access | 1.17 MB | Adobe PDF | View/Open |
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