Bioinformatics approach for discovery of potential lead compound of NSP6 of SARS-CoV-2 using structure based virtual screening and molecular dynamics simulations.

While the NSP6-ZINC-018529632 complex revealed a decreasing trend starting at 20 ns to 60 ns then it reached stability till 100 ns at 1.97 nm, the NSP6-ZINC-148,180,843 complex exhibited a decrease at 40 ns and remained stable to 100 ns with Rg value of 2 nm, and NSP6-ZINC-075486396 showed a decreasing trend starting at the 70 ns to the 100 ns at 2 nm.

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