Ascorbic Acid as an Inhibitor for SARS-CoV-2 Virus Reproduction: A Theoretical Approach

  • Mohammed Abed Jawad Al-Nisour University College, Iraq.
  • Abed J Kadhim Al-Nisour University College, Iraq.
Keywords: COVID-19, Vitamin C, DFT, Docking, TED

Abstract

In the present study, ascorbic acid’s or Vitamin C’s influence (VC) in inhibition of SARS-CoV-2 virus reproduction was investigated. Gaussian 09 with a basis set of 6-311G (d, p), MGL tools, DSV, and LigPlus software were used. According to the Total Electron Density (TED) and Millikan charges, the active sites for adsorption were determined. Further, the docking study had clearly revealed the role of VC in inhibition of the virus reproduction in accordance with binding energy (Eb) and ligand efficiency (LE). The vitamin’s interaction with the virus’s spikes may limit its replication or provide the immune system sufficient time to recognize the infection, which enhances the possibility of producing appropriate antibodies.

How to cite this article:
Jawad MA, Kadhim AJ. Ascorbic Acid as an Inhibitor for SARS-CoV-2 Virus Reproduction: A Theoretical Approach. J Commun Dis. 2021;53(3): 181-185.

DOI: https://doi.org/10.24321/0019.5138.202155

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Published
2021-09-30