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Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations

• Authors : Procacci P.; Macchiagodena M.; Pagliai M. ...

Subjects: COVID-19; SARS-CoV-2; Betacoronavirus

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High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors

• Authors : Haitao Yang; Jing Yu; Lin Han

Subjects: Drug; medicine.drug_class; media_common.quotation_subject

• Source: Protein & Cell

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Aloin isoforms (A and B) selectively inhibits proteolytic and deubiquitinating activity of papain like protease (PLpro) of SARS-CoV-2 in vitro

• Authors : Devin S. M. Lewis; Joanna Ho; Savannah Wills

Subjects: Binding Sites; Emodin; Multidisciplinary

• Source: Scientific Reports, Vol 12, Iss 1, Pp 1-11 (2022)

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Comparison of Binding Site of Remdesivir and Its Metabolites with NSP12-NSP7-NSP8, and NSP3 of SARS CoV-2 Virus and Alternative Potential Drugs for COVID-19 Treatment

• Authors : Lindsey S. Jung; Tamara M. Gund; Mahesh Narayan

Subjects: Virtual screening; Protein Conformation; viruses

• Source: The Protein Journal

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Discovery of Drug-Like Ligands for the Mac1 Domain of SARS-CoV-2 Nsp3

• Authors : Nemanja Vuksanovic; Rajdeep S Virdi; Trevor R Melkonian

Subjects: Models, Molecular; Protein Conformation; coronavirus

• Source: Slas DiscoverybioRxiv

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Identification of FDA approved drugs and nucleoside analogues as potential SARS-CoV-2 A1pp domain inhibitor: An in silico study

• Authors : Sanjay Gupta; Mohd Shuaib; Shashank Kumar

Subjects: 0301 basic medicine; Stereochemistry; In silico

• Source: Computers in Biology and Medicine

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Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2

• Authors : Jakub M. Tomczak; Mirosław Giurg; Ewelina Węglarz-Tomczak ...

Subjects: 0301 basic medicine; Azoles; medicine.medical_treatment

• Source: Scientific ReportsWeglarz-Tomczak, E, Tomczak, J M, Talma, M, Burda-Grabowska, M, Giurg, M & Brul, S 2021, ' Identification of ebselen and its analogues as potent covalent inhibitors of

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An Androsterone-H

• Authors : Margarita, Suárez; Kamil, Makowski; Reinier, Lemos

Subjects: Binding Sites; Full Paper; SARS-CoV-2

• Source: Chempluschem

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The use of knowledge management tools in viroinformatics. Example study of a highly conserved sequence motif in Nsp3 of SARS-CoV-2 as a therapeutic target

• Authors : Barry Robson

Subjects: 0301 basic medicine; Bioinformatics; Knowledge management

• Source: Computers in Biology and Medicine

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A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease

• Authors : Zongyang Lv; Tony T. Huang; Marcin Drag

Subjects: ISG15; QH301-705.5; viruses

• Source: Cell Reports, Vol 36, Iss 13, Pp 109754-(2021)Cell Reports

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