Investigating the Internalization and COVID-19 Antiviral Computational Analysis of Optimized Nanoscale Zinc Oxide

Mohamed Hamdi1, Hend Mohamed Abdel-Bar1, Enas Elmowafy2

  • 1Department of Pharmaceutics, Faculty of Pharmacy, University of Sadat City, P.O. Box 32897, Sadat City, Egypt.

ACS Omega
|March 22, 2021
PubMed

Insights

Zinc oxide nanoparticles (ZnO NPs) show promise for combating respiratory viruses like COVID-19. Studies indicate ZnO NPs interact with viral targets and are taken up by lung cells, suggesting therapeutic potential.

Area of Science:

  • Nanotechnology
  • Virology
  • Materials Science

Background:

  • Emerging and re-emerging pathogenic respiratory viruses pose a global health challenge.
  • Repurposing existing therapeutic agents offers a potential strategy for combating viral infections.
  • Zinc oxide (ZnO) has demonstrated efficacy against herpes simplex and influenza viruses.

Purpose of the Study:

  • To fabricate and characterize zinc oxide nanoparticles (ZnO NPs) for potential antiviral applications.
  • To investigate the in silico interaction of ZnO NPs with key COVID-19 targets.
  • To assess the cellular uptake of ZnO NPs in human lung fibroblast cells.

Main Methods:

  • Fabrication and characterization of ZnO nanoparticles, including optimization, structure, purity, and morphology analysis.
  • In silico molecular docking simulations to predict interactions between ZnO NPs and COVID-19 targets (ACE2 receptor, RNA-dependent RNA polymerase, main protease).
  • Assessment of ZnO NP cellular internalization using human lung fibroblast cell lines.

Main Results:

  • Optimized hexagonal and spherical ZnO nanostructures with a crystallite size of 11.50 ± 0.71 nm and positive charge were successfully synthesized.
  • Pure hexagonal wurtzite crystal structure (P63mc) was confirmed for the ZnO NPs.
  • In silico analysis revealed favorable binding of ZnO NPs with COVID-19 targets through hydrogen bond formation.
  • Dose-dependent cellular uptake of ZnO NPs by human lung fibroblast cells was observed.

Conclusions:

  • The study demonstrates the successful fabrication and characterization of ZnO NPs with potential antiviral properties.
  • In silico and cellular uptake studies suggest ZnO NPs could be a viable candidate for therapeutic intervention against COVID-19.
  • Further biological and therapeutic validation is warranted to confirm the efficacy of ZnO NPs.

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