Identification of Promising SARS-CoV-2 Main Protease (Mpro) and Spike Protein Inhibitors From Edible Mushroom: A Computational Approach

From the paper

Abstract

Coronaviruses infect lungs leading to death due to asphyxiation. SARS-CoV-2 is treated by targeting symptoms, repurposing drugs and plasma therapy. Several synthetic drugs are being prescribed that cause major side effects in liver, kidney and heart. Therefore new compounds with low toxicity must be investigated. We have identified antiviral compounds like Eritadenine, Gallic Acid, Ergosterol Peroxide and Pleuran from various edible mushrooms such as Lentinula edodes, Agaricus bisporus, Pleutorus ostreatus and Hericium erinaceus with evidence of literature review. The docking and simulation studies with the targets of SARS-CoV-2 such as Main Protease (M Pro) and Spike Protein were highly successful. In silico ADMET studies further proved that these compounds are druggable with low toxicity. These compounds have potential to prevent the cellular entry to prohibit assembly of new viruses inside the cell. But further studies are required to substantiate their bioactivity claim by in vitro and in vivo assay methods.