<p>Severe Acute Respiratory Syndrome Coronavirus 2 (SARS- CoV-2)
affects human respiratory function that causes COVID-19 disease. COVID-19 has
spread rapidly all over the world and became a pandemic within no time. Therefore,
it is the need of hour to screen potential lead candidates from natural
resources like edible mushrooms and marine fungi. These natural resources are
very less explored till now and known to be the source for many medicinal compounds
with several health benefits. These medicinal compounds can be easily exploited
for the faster development of nutraceuticals for controlling SARS-CoV-2
infections. Our in-silico research suggests that bioactive compounds originating
from mushroom and marine fungi shows strong potential to interact with ACE2
receptor or main protease of SARS-CoV-2, showing the inhibition activity
towards the enzymatic protease. We performed a series of in silico studies for
the validation of our results, which includes Molecular docking, drug likeness property
investigation by Swiss ADME tools, MD simulation, and thermodynamically stable
free binding energy calculation. Overall, these results suggest that Ganodermadiol
and Heliantriol
F bioactive compounds originating from edible mushroom has strong
potential to be developed as low-cost nutraceutical against SARS-CoV-2 viral
infection. The drug candidate isolated from marine fungi and edible mushroom
are highly unexplored for the development of potential alternative drug against
SARS-CoV-2 virus with minimum side effects. That is why we decided to screen
some active metabolites from the marine fungi and mushrooms, which offer some
encouraging results. Though our in-silico studies of these compounds are showing
a promising result against SARS-CoV-2 main protease and ACE2 receptor binding
domain, the effectiveness of these bioactive compounds should be further
validated by proper clinical trials.</p>