Title : Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2.

Pub. Date : 2022 Feb

PMID : 34823857






2 Functional Relationships(s)
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1 We further measured the inhibitory activity of 5 compounds (rifapentine, velpatasvir, glecaprevir, anidulafungin, and FAD disodium) on SARS-CoV-2 PLpro using Ubiquitin-Rhodamine 110 Gly fluorescent intensity assay. rifapentine ORF1a polyprotein;ORF1ab polyprotein Severe acute respiratory syndrome coronavirus 2
2 The highest inhibition of PLpro activity was seen with rifapentine (IC50: 15.18 muM) and FAD disodium (IC50: 12.39 muM), the drugs with high predicted KIBA scores and binding affinities. rifapentine ORF1a polyprotein;ORF1ab polyprotein Severe acute respiratory syndrome coronavirus 2