A Proposed Insight into the Anti-viral Potential of Silver Nanoparticles against Novel Coronavirus Disease (COVID-19)
Murad Anvarbekovich Magomedov
Stavropol State Medical University, Stavropol, Russia.
Nuri Ruslanovich Shebzukhov
Stavropol State Medical University, Stavropol, Russia.
Tabarik Rustamovna Timerbulatova
North Ossetian State Medical Academy, Vladikavkaz, Republic of North Ossetia, Russia.
Elvin Makhir ogly Amrakhov
I.M. Sechenov First Moscow State Medical University, Moscow, Russia.
Madina Elbrusovna Adzhieva
Dagestan State Medical University, Makhachkala, Dagestan, Russia.
Rizvan Abdievich Murdalov
Chechen State University Medicine Institute, Russia.
Rustem Khamidovich Ilbekov
Stavropol Regional Clinical Consulting and Diagnostic Center, Stavropol, Russia.
Hava Ilyasovna Batalova
North Ossetian State Medical Academy, Vladikavkaz, Republic of North Ossetia, Russia.
Makka Magomedovna Isaeva
Chechen State University Medicine Institute, Russia.
Alikhan Magomedgadzhievich Ibragimov
Stavropol Regional Clinical Hospital, Stavropol, Russia.
Sergey Nikolaevich Povetkin *
North Caucasus Federal University, Stavropol, Russia.
*Author to whom correspondence should be addressed.
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 (ΔE = 0.16 a. u.).
Keywords: Silver nanoparticles, COVID-19, quantum and chemical modeling, spike protein