Screening of drug databank against WT and mutant main protease of SARS-CoV-2: Towards finding potential compound for repurposing against COVID-19.
PMID: 33649700
2021
Saudi journal of biological sciences
Abstract: In the present study we identified important active site mutations within the SARS-CoV-2 Mpro (Y54C, N142S, T190I and A191V).
Abstract: While PF-03715455 (Y54C), Salvianolic acid A (N142S and T190I), and Montelukast (A191V) were found to be most active against the other selected mutants.
Result: MD studies for the top-scoring molecule from each category in complex with their respective target (Imiglitazar-WT, PF-03715455-Y54C, Salvianolic-A-N142S, Salvianolic-A-T190I and Montelukast-A191V) were performed.
SARS_CoV_2 mutation literature information.
PMID: 
2021
Saudi journal of biological sciences
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