A Scorpion Venom Peptide BMKN2 With Potent Antiviral Activity Against Therapeutic Targets of Sars-Cov-2: An In-Silico Study
Keywords:
Scorpion Venom Peptide, BmKn2, SARS- CoV-2Abstract
The recently described Corona Virus Disease 2019 (COVID-19) caused by Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2) infected over 124 million people, resulted in the death of more than, 2.73 million and made chaos among the social and economic status of various countries. There are no antiviral drugs with proven clinical efficacy for the treatment of COVID-19, nor are there any vaccines that prevent infection with SARS-CoV-2. This study focused on investigating the efficacy of selected scorpion Venom Peptides as ligands against the potential targets of SARS-CoV-2.
BmKn2, Ctry2801, Hp1090, and Mucroporin 1 from different species of scorpions were chosen as the ligands for this study. Vital proteins of SARS-CoV-2 viz., Spike Glycoprotein, Nucleocapsid Protein, Main Protease (M Pro), Papain Like Protease (PL Pro), and RNA dependent RNA polymerase (RdRp) which play requisite roles in the infection pathway were selected as desirable drug targets. Molecular docking techniques were employed to determine the binding characteristics of viral protein targets with the venom peptides. The receptor-ligand binding affinities resulting from their docking were calculated and the most probable interactions between the ligands and their receptors were found out. Based on this study, we identified the venom peptide BmKn2, as the most potential molecule that can block the vital proteins of SARS-CoV-2.
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