Molecular docking: Potential Inhibitors of SARS CoV-2 (PLpro) papain-like protease

SARS-CoV-2
or COVID-19 pandemic have been rising continuously from the date of disease
outbreak. Currently, there is no approved drugs and vaccine to treat this viral
infection. In this scenario, there is a need to utilize the existing approved
drugs to treat this disease. From this current molecular docking study started
to test some of the drugs to know their inhibitory action on PLpro.
Because, we know the essential role of PLpro in SARS-CoV-2
life-cycle.

Virtual
Screening
PyRx is a
Virtual Screening software for computational drug discovery that can be used to
screen libraries of compounds against potential drug targets. Virtual
molecular screening is used to dock small-molecule libraries to a macromolecule
in order to find lead compounds with desired biological function. This in
silico method is well known for its application in computer-aided drug
design. PyRx is open-source software with an intuitive user interface that runs
on all major computer operating systems.

This study suggests Notomycin and Coumermycin A1
for clinical and toxicological study to treat COVID-19 by inhibit SARS-CoV-2
papain-like protease (PLpro).