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Computer modeling of a potential agent against SARS-Cov-2 (COVID-19) protease.
Lesk, Arthur M; Konagurthu, Arun S; Allison, Lloyd; Garcia de la Banda, Maria; Stuckey, Peter J; Abramson, David.
Proteins ; 88(12): 1557-1558, 2020 12.
Article in English | MEDLINE | ID: covidwho-718378

ABSTRACT

We have modeled modifications of a known ligand to the SARS-CoV-2 (COVID-19) protease, that can form a covalent adduct, plus additional ligand-protein hydrogen bonds.


Subject(s)
Antiviral Agents , Aphids , Coronavirus Infections , Insecticides , Pandemics , Pneumonia, Viral , Acetylcholinesterase , Animals , Betacoronavirus , COVID-19 , Cysteine Endopeptidases , Humans , Molecular Docking Simulation , Protease Inhibitors , SARS-CoV-2 , Viral Nonstructural Proteins
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