Author: Pitsillou, Eleni; Liang, Julia; Hung, Andrew; Karagiannis, Tom C.
Title: Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies Cord-id: z2491ey0 Document date: 2021_5_16
ID: z2491ey0
Snippet: The SARS-CoV-2 papain-like protease (PL(pro)) is a suitable target for drug development, and its deubiquitinating and deISGylating activities have also been reported. In this study, molecular docking was used to investigate the binding properties of a selection of dietary compounds and naphthalene-based inhibitors to the previously characterised binding site of GRL-0617. The structures of the SARS-CoV-2 and SARS-CoV PL(pro) in complex with interferon-stimulated gene 15 (ISG15) and lysine 48 (K48
Document: The SARS-CoV-2 papain-like protease (PL(pro)) is a suitable target for drug development, and its deubiquitinating and deISGylating activities have also been reported. In this study, molecular docking was used to investigate the binding properties of a selection of dietary compounds and naphthalene-based inhibitors to the previously characterised binding site of GRL-0617. The structures of the SARS-CoV-2 and SARS-CoV PL(pro) in complex with interferon-stimulated gene 15 (ISG15) and lysine 48 (K48)-linked diubiquitin were utilised. To predict whether compounds could potentially interfere with the binding of these cellular modifiers, docking was conducted in the absence and presence of ISG15 and K48-linked diubiquitin.
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