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. 2020 Oct 1:153:105465.
doi: 10.1016/j.ejps.2020.105465. Epub 2020 Jul 12.

A molecular docking study repurposes FDA approved iron oxide nanoparticles to treat and control COVID-19 infection

Yasmin Abo-Zeid  1 , Nasser S M Ismail  2 , Gary R McLean  3 , Nadia M Hamdy  4
Affiliations

A molecular docking study repurposes FDA approved iron oxide nanoparticles to treat and control COVID-19 infection

Yasmin Abo-Zeid et al. Eur J Pharm Sci. .

Abstract

COVID-19, is a disease resulting from the SARS-CoV-2 global pandemic. Due to the current global emergency and the length of time required to develop specific antiviral agent(s) and a vaccine for SARS-CoV-2, the world health organization (WHO) adopted the strategy of repurposing existing medications to treat COVID-19. Iron oxide nanoparticles (IONPs) were previously approved by the US food and drug administration (FDA) for anemia treatment and studies have also demonstrated its antiviral activity in vitro. Therefore, we performed a docking study to explore the interaction of IONPs (Fe2O3 and Fe3O4) with the spike protein receptor binding domain (S1-RBD) of SARS-CoV-2 that is required for virus attachment to the host cell receptors. A similar docking analysis was also performed with hepatitis C virus (HCV) glycoproteins E1 and E2. These studies revealed that both Fe2O3 and Fe3O4 interacted efficiently with the SARS-CoV-2 S1-RBD and to HCV glycoproteins, E1 and E2. Fe3O4 formed a more stable complex with S1-RBD whereas Fe2O3 favored HCV E1 and E2. These interactions of IONPs are expected to be associated with viral proteins conformational changes and hence, viral inactivation. Therefore, we recommend FDA-approved-IONPs to proceed for COVID-19 treatment clinical trials.

Keywords: Covid-19; Hcv glycoproteins E1 and E2; Iron oxide nanoparticles (IONPs); Molecular docking; Reactive oxygen species (ROS); Repurposing medication; Sars-CoV-2.

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Conflict of interest statement

Declaration of Competing Interest Authors declare no conflicts of interest.

Figures

Image, graphical abstract
Graphical abstract
Fig.. 1
Fig.. 1
The structure of nano-mineral representing NPs of (A) Fe2O3 and (B)Fe3O4. .
Fig.. 2
Fig.. 2
3D interaction diagram showing Fe2O3 docking interactions with the key amino acids in the S-RBD of SARS-COV-2.
Fig.. 3
Fig.. 3
3D interaction diagram showing Fe3O4 docking interactions with the key amino acids in the S-RBD of SARS-COV-2.
Fig.. 4
Fig.. 4
3D interaction diagram showing Fe2O3 docking interactions with the key amino acids in the HCV E1 glycoprotein.
Fig.. 5
Fig.. 5
3D interaction diagram showing Fe3O4 docking interactions with the key amino acids in the HCV E1 glycoprotein.
Fig.. 6
Fig.. 6
3D interaction diagram showing Fe2O3 docking interactions with the key amino acids in the HCV E2 glycoprotein.
Fig.. 7
Fig.. 7
3D interaction diagram showing Fe3O4 docking interactions with the key amino acids in the HCV E2 glycoprotein.
See this image and copyright information in PMC

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References

    1. Abo-zeid Y. Enhanced nanoparticle uptake into virus infected cells : could nanoparticles be useful school of life sciences, faculty of medicine & health sciences, queens medical centre. Int J Pharm. 2018 doi: 10.1016/j.ijpharm.2018.06.027. - DOI - PubMed
    1. Abo-zeid Y., Williams G.R. The potential anti-infective applications of metal oxide nanoparticles: A systematic review. Wiley Interdisciplinary Reviews: Nanomedicine and Nanobiotechnology. 2019:1–36. doi: 10.1002/wnan.1592. (July) - DOI - PubMed
    1. Aderibigbe B.A. Metal-based nanoparticles for the treatment of infectious diseases. Molecules. 2017;22:1–37. doi: 10.3390/molecules22081370. - DOI - PMC - PubMed
    1. Andersen K.G. The proximal origin of SARS-CoV-2. Nat. Med. 2020:2–4. doi: 10.1038/s41591-020-0820-9. - DOI - PMC - PubMed
    1. Baram-pinto D. Inhibition of HSV-1 Attachment, Entry, and Cell-to-Cell Spread by Functionalized Multivalent Gold Nanoparticles. small. 2010;6(9):1044–1050. doi: 10.1002/smll.200902384. - DOI - PubMed

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