Molecular Docking Analysis of Christanoate and Christene from Christia vespertilionis Plants as Potential Inhibitors of Covid-19

Authors

  • Suganya Murugesu Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Tavamani Balan Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Nurliyana Ismahani Mohd Tamri Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Lukhman Nul Hakim Zamree Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Nurul Fathiah Zulkifli Samba Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Siti Nur Hajar Mohamed Anuar Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Sharon Fatinathan Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.
  • Vikneswari Perumal Faculty of Pharmacy and Health Sciences, Royal College of Medicine Perak, Universiti Kuala Lumpur,30450 Ipoh, Perak,Malaysia.

DOI:

https://doi.org/10.5530/ctbp.2024.2.22

Keywords:

SARS-CoV-2, Christia vespertilionis, molecular docking, Covid-19

Abstract

Covid-19 is a global pandemic caused by SARS-CoV-2 virus that caused mortality and world economic collapse. It is almost impossible to break the chain of infection with no intervention except vaccines to prevent worsening symptoms and to build herd immunity in people. Efforts to discover a therapeutic drug to combat the virus are still ongoing. Various medicinal phyto constituents are also researched for their pharmacological action as antiviral agents against Covid-19. This study explored the antiviral potential of Christia vespertilionis bio active compounds (christene and christanoate) for treating Covid-19 using molecular docking analysis. The Covid-19 protein crystal structures (PDB ID: 6LU7, PDB ID: 6CS2, PDB ID: M1D, PDB ID: 2GHV and PDB ID: 6M71) obtained from the protein data bank were docked to christene and christanoate. The analyses were carried out using the Autodock tool 1.5.6. The control docking was done using favipiravir as the reference drug. The binding interaction of the protein and ligand was observed using the Biovia Discovery visualizer. The binding affinity and interactions indicate that the observed compounds have antiviral action suggesting their potential as Covid-19 inhibitors and can be further considered for therapeutic applications.

The protein structure of SARS-CoV-2;

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Published

24-04-2024

How to Cite

Murugesu, S., Balan, T., Mohd Tamri, N. I. ., Hakim Zamree, L. N. ., Zulkifli Samba, N. F. ., Mohamed Anuar, S. N. H., Fatinathan, S. ., & Perumal, V. (2024). Molecular Docking Analysis of Christanoate and Christene from Christia vespertilionis Plants as Potential Inhibitors of Covid-19. Current Trends in Biotechnology and Pharmacy, 18(2), 1736–1744. https://doi.org/10.5530/ctbp.2024.2.22