Background: COVID-19 is a life-threatening novel corona viral infection to our civilization
and spreading rapidly. Tremendousefforts have been made by the researchers to search for a
drug to control SARS-CoV-2.
Methods: Here, a series of arsenical derivatives were optimized and analyzed with in silico study
to search the inhibitor of RNA dependent RNA polymerase (RdRp), the major replication factor of
SARS-CoV-2. All the optimized derivatives were blindly docked with RdRp of SARS-CoV-2 using
Results: Based on the lower idock score in the catalytic pocket of RdRp, darinaparsin (-82.52 kcal/-
mol) was revealed to be the most effective among them. Darinaparsin strongly binds with both
Nsp9 replicase protein (-8.77 kcal/mol) and Nsp15 endoribonuclease (-8.3 kcal/mol) of SARS--
CoV-2 as confirmed from the AutoDock analysis. During infection, the ssRNA of SARS-CoV-2 is
translated into large polyproteins forming viral replication complex by specific proteases like 3CL
protease and papain protease. This is also another target to control the virus infection where darinaparsin
also performs the inhibitory role to proteases of 3CL protease (-7.69 kcal/mol) and papain
protease (-8.43 kcal/mol).
Conclusion: In the host cell, the furin protease serves as a gateway to the viral entry and darinaparsin
docked with furin protease, which revealed a strong binding affinity. Thus, screening of potential
arsenic drugs would help in providing the fast in-vitro to in-vivo analysis towards the development
of therapeutics against SARS-CoV-2.