Identification of Potential Binders of the Main Protease 3CLpro of the COVID-19 via Structure-Based Ligand Design and Molecular Modeling

scientific article published on 18 April 2020

Identification of Potential Binders of the Main Protease 3CLpro of the COVID-19 via Structure-Based Ligand Design and Molecular Modeling is …
instance of (P31):
scholarly articleQ13442814

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P8150COVIDWHO IDcovidwho-72370
P6179Dimensions Publication ID1126755176
P356DOI10.1016/J.CPLETT.2020.137489
P932PMC publication ID7165110
P698PubMed publication ID32313296

P2093author name stringPiero Procacci
Marco Pagliai
Marina Macchiagodena
P2860cites workAn interactive web-based dashboard to track COVID-19 in real timeQ87456354
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From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug designQ26992345
Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugsQ27641252
The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitorQ27642450
Mechanism for Controlling the Dimer-Monomer Switch and Coupling Dimerization to Catalysis of the Severe Acute Respiratory Syndrome Coronavirus 3C-Like ProteaseQ27649949
Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structureQ27655351
Discovery, synthesis, and structure-based optimization of a series of N-(tert-butyl)-2-(N-arylamido)-2-(pyridin-3-yl) acetamides (ML188) as potent noncovalent small molecule inhibitors of the severe acute respiratory syndrome coronavirus [...]Q27675449
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SARS CoV main proteinase: The monomer-dimer equilibrium dissociation constantQ79403449
P921main subjectCOVID-19Q84263196
SARS-CoV-2Q82069695
P304page(s)137489
P577publication date2020-04-18
P1433published inChemical Physics LettersQ2600566
P1476titleIdentification of Potential Binders of the Main Protease 3CLpro of the COVID-19 via Structure-Based Ligand Design and Molecular Modeling