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    Bioinformatics study of the effect of bacteriocins on SARS-CoV2

  • Seyedeh Maryam Mousavy,1,*
    1. Khorramshahr University of Marine Science and Technology


  • Introduction: The world has been facing the Coronavirus pandemic for more than a year and this problem still persists. Many people have died from the disease, and the social and economic conditions of most people around the world have been affected by the virus. Due to many efforts to treat SARS-CoV2, no effective treatment has yet been identified. To reduce the research time and increase their effectiveness, computer tools can be used to investigate the interaction of compounds and drugs with the SARS-CoV2, and finally the compounds that have the most interaction with the virus enter the in vitro phase of research. Accordingly, in the present study, the interaction of bacteriocins with pathogenic proteins of the SARS-CoV2 was investigated in silico. Bacteriocins are small microbial peptides produced by bacteria to overcome other bacterial strains.
  • Methods: The molecular structure of Microcin and Colicin from Escherichia coli and Marcescin from Serratia marcsecens was obtained from the articles and plotted using ChemDraw software. The structure of SARS-CoV2 pathogenic proteins including 3CLpro, PLpro, RdRp, Spro and Mpro was obtained from the protein databank (PDB). Molecular docking was performed with Mulegro Virtual Docker software and its three-dimensional shape was observed with Mulegro Virtual Viewer.
  • Results: Among the three bacteriocins studied, Marcescin was able to dock with Mpro and Spro with docking energy of -126.42 kJ/mol and -108.58 kJ/mol, respectively. But the other two bacteriocins did not interact with SARS-CoV2 proteins. Residues involved in the interaction between Marcescin and Mpro were included Gln 110, Thr 111, Gln 127, Ser 158, Thr 292 and Phe 294. Residues involved in the interaction between Marcescin and Spro were included Gln 110, Asn 151, Cys 160 and Phe 294.
  • Conclusion: Although bacteriocins are antibacterial compounds, in the present study, it was shown that Marcescin can also have antiviral effects. However, after further experiments, especially in vitro tests, a definite report can be made about the anti- SARS-CoV2 effect of this peptide.
  • Keywords: SARS-CoV2, Bacteriocin, Marcescin, Molecular Docking