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.).
Highlights
The study of the biological properties of metal nanoparticles, associated with the intensive development of nanomedicine and nanopharmacology, is one of the priority modern directions [1,2,3,4,5,6,7,8]
Silver nanoparticles can interact with proline, which is due to the presence of an additional amino group in the proline structure
The carboxyl and amino groups in the serine structure participate in the formation of a peptide bond, so they do not participate in interaction with silver nanoparticles
Summary
The study of the biological properties of metal nanoparticles, associated with the intensive development of nanomedicine and nanopharmacology, is one of the priority modern directions [1,2,3,4,5,6,7,8]. With the advent of nanotechnologies, new opportunities have appeared in terms of developing more effective drugs using silver nanoparticles [16,17]. The use of silver in the form of nanoparticles makes it possible to reduce the concentration of the metal hundreds of times while preserving all its bactericidal properties. The possibilities of using silver nanoparticles require further detailed research due to their insufficiently studied effect on various tissues and body systems
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