Author:
Arya Rimanshee,Das Amit,Prashar Vishal,Kumar Mukesh
Abstract
<p></p><p>The cases of
2019 novel coronavirus (SARS-CoV-2) infection have been continuously increasing
ever since its outbreak in China last December. Currently, there are no
approved drugs to treat the infection. In this scenario, there is a need to
utilize the existing repertoire of FDA approved drugs to treat the disease. The
rational selection of these drugs could be made by testing their ability to
inhibit any SARS-CoV-2 proteins essential for viral life-cycle. We chose one
such crucial viral protein, the papain-like protease (PLpro), to screen the FDA
approved drugs <i>in silico</i>. The
homology model of the protease was built based on the SARS-coronavirus PLpro structure, and the drugs were docked
in S3/S4 pockets of the active site of the enzyme. In our docking studies, sixteen
FDA approved drugs, including chloroquine and formoterol, was found to bind the
target enzyme with significant affinity and good geometry, suggesting their
potential to be utilized against the virus.</p><br><p></p>
Publisher
American Chemical Society (ACS)
Cited by
17 articles.
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