A Proposed Insight into the Anti-viral Potential of Silver Nanoparticles against Novel Coronavirus Disease (COVID-19)
Murad Anvarbekovich Magomedov, Nuri Ruslanovich Shebzukhov, Tabarik Rustamovna Timerbulatova, Elvin Makhir ogly Amrakhov, Madina Elbrusovna Adzhieva, Rizvan Abdievich Murdalov, Rustem Khamidovich Ilbekov, Hava Ilyasovna Batalova, Makka Magomedovna Isaeva, Alikhan Magomedgadzhievich Ibragimov, Sergey Nikolaevich Povetkin
Journal of Pharmaceutical Research International · pp. 79–93 · Published 20 Aug 2021
10.9734/jpri/2021/v33i41B32347Abstract
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 (ΔE = 0.16 a. u.).
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