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Virtual screening of molecular databases for potential inhibitors of the NSP16/NSP10 methyltransferase from SARS-CoV-2

Journal of Molecular Structure(2022)

Cited 2|Views5
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Abstract
•Virtual screening by Docking using different molecular databanks in the search of potential inhibitors of NSP16-NSP10 protein dimer from SARS-CoV-2;•Evaluation of the physicochemical and ADMET properties of the most promising ligands showed interesting results;•Encouraging of future pharmacological tests with the compounds identified with higher affinity, as well exploring the other molecular scaffolds evidenced;
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Key words
SARS-CoV-2,Virtual screening,Molecular docking,NSP10/NSP16,S-adenosylmethionine,Caatinga Brazilian biome
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