Art

J-GLOBAL ID：202302276930154179   Reference number：23A0496229

Fullerenes against COVID-19: Repurposing C60 and C70 to Clog the Active Site of SARS-CoV-2 Protease

COVID-19に対するフラーレン類:SARS-CoV-2プロテアーゼの活性部位をClogにC60とC70を再構成する【JST・京大機械翻訳】

Author (4)： Marforio Tainah Dorina ,  Mattioli Edoardo Jun ,  Zerbetto Francesco ,  Calvaresi Matteo
Material： Molecules (Web)
Volume： 27  Issue： 6  Page： 1916  Publication year： 2022 
JST Material Number： U7014A  ISSN： 1420-3049  CODEN： MOLEFW  Document type： Article
Article type： 原著論文  Country of issue： Switzerland (CHE)  Language： ENGLISH (EN)

Abstract/Point： The persistency of COVID-19 in...

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Thesaurus term： binding energy ,  interaction ,  protonation ,  amino acid ,  antiviral drug ,  protein ,  mutation ,  vaccine ,  *active site ,  binding site ,  *peptide bond hydrolase ,  molecular dynamics ,  *fullerene ,  *fullerene C60
Semi thesaurus term： *重症急性呼吸器症候群 , 【Automatic Indexing@JST】

Author keywords (10)： C₆₀ ,  C₇₀ ,  masitinib ,  M^pro ,  SARS-CoV-2 ,  COVID-19 ,  drug repurposing ,  MM-GBSA ,  inhibitors ,  nanobio interface

JST classification (4)： Basic research of antiviral drugs  (GW17040O) ,  Structure-activity relationship of drugs  (GV01050B) ,  Basic research of pharmacology of crude drugs  (GX06020J) ,  Basic research of enzyme preparations and enzyme inhibitor preparations  (GW21010W)

Reference (72)：

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• Jin, Z.; Du, X.; Xu, Y.; Deng, Y.; Liu, M.; Zhao, Y.; Zhang, B.; Li, X.; Zhang, L.; Peng, C.; et al. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature 2020, 582, 289-293.
• Kneller, D.W.; Phillips, G.; O’Neill, H.M.; Jedrzejczak, R.; Stols, L.; Langan, P.; Joachimiak, A.; Coates, L.; Kovalevsky, A. Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography. Nat. Commun. 2020, 11, 7-12.
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Terms in the title (8)： COVID-19 ,  フラーレン類 ,  SARS-CoV-2 ,  プロテアーゼ ,  活性部位 ,  C60 ,  C70 ,  再構成