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Discovery of alliin as a putative inhibitor of the main protease of SARS-CoV-2 by molecular docking.
Cheng, Bijun; Li, Tianjiao.
  • Cheng B; College of Food Engineering, Jilin Agricultural Science and Technology University, Jilin, Jilin Province 132101, People's Republic of China.
  • Li T; College of Food Engineering, Jilin Agricultural Science and Technology University, Jilin, Jilin Province 132101, People's Republic of China.
Biotechniques ; 69(2): 108-112, 2020 08.
Article in English | MEDLINE | ID: covidwho-1041501
ABSTRACT
The outbreak of viral pneumonia caused by the novel coronavirus SARS-CoV-2 that began in December 2019 caused high mortality. It has been suggested that the main protease (Mpro) of SARS-CoV-2 may be an important target to discover pharmaceutical compounds for the therapy of this life-threatening disease. Remdesivir, ritonavir and chloroquine have all been reported to play a role in suppressing SARS-CoV-2. Here, we applied a molecular docking method to study the binding stability of these drugs with SARS-CoV-2 Mpro. It appeared that the ligand-protein binding stability of the alliin and SARS-CoV-2 Mpro complex was better than others. The results suggested that alliin may serve as a good candidate as an inhibitor of SARS-CoV-2 Mpro. Therefore, the present research may provide some meaningful guidance for the prevention and treatment of SARS-CoV-2.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Viral Nonstructural Proteins / Cysteine Language: English Journal: Biotechniques Year: 2020 Document Type: Article

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Viral Nonstructural Proteins / Cysteine Language: English Journal: Biotechniques Year: 2020 Document Type: Article