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