Manipulated bio antimicrobial peptides from probiotic bacteria as proposed drugs for COVID-19 disease

Abstract

Coronavirus disease 19 (COVID-19) is the latest pandemic resulted from the coronavirus family. Due to the high prevalence of this disease, its high mortality rate, and the lack of effective treatment, the need for affordable and accessible drugs is one of the main challenges in this regard. It has been proved that RdRp, 3CL, Spike, and Nucleocapsid are the most important viral proteins playing vital roles in the processes of proliferation and infection. Therefore, we started studying a wide range of bio-peptides and then conducted molecular docking analyses to investigate their binding affinity for the inhibition of these proteins. After obtaining the best bio-peptides with the highest affinity scores, they were examined for further study and then manipulated to eliminate their side effects. Additionally, the molecular dynamic simulation was performed to validate the structure and interaction stability. The results of this study reveal that glycocin F from <i>Lactococcus lactis</i> and lactococcine G from <i>Lactobacillus plantarum</i> had the high affinities to bind to the viral proteins, and the manipulation of their sequence also led to the side effects' elimination. In addition, in some cases, their affinities to attach the SARS-CoV-2 proteins have increased. It seems that these two drugs which were discovered and designed, are optimal for treating the COVID-19 infection. However, experimental and pre-clinical studies are necessary to assay their therapeutic effects.