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10.2174/1871520620666201123101002

http://scihub22266oqcxt.onion/10.2174/1871520620666201123101002
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suck abstract from ncbi


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pmid33231155      Comb+Chem+High+Throughput+Screen 2022 ; 25 (1): 197-203
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  • Catechin Derivatives as Inhibitor of COVID-19 Main Protease (Mpro): Molecular Docking Studies Unveil an Opportunity Against CORONA #MMPMID33231155
  • Arif MN
  • Comb Chem High Throughput Screen 2022[]; 25 (1): 197-203 PMID33231155show ga
  • BACKGROUND: A newly emergent strain of coronavirus (COVID-19) has affected almost the whole of the world's population. Currently, there is no specific vaccine or drug against COVID-19. Xu et al. (2020) built a homolog model of SARS-CoV-2 Mpro based on SARS-CoV Mpro, which is considered as a target to inhibit the replication of CoV. OBJECTIVE: The aim of the current study was to find potential inhibitors of COVID-19 Mpro using docking analysis. METHODS: Autodockvina was used to carry out Protein-Ligand docking. COVID-19 main protease Mpro was docked with catechin and its different synthetic derivatives. Nelfinavir, an antiretroviral drug belonging to protease inhibitors, was taken as the standard. RESULTS: According to the result obtained, it was found that Compound (4) and Compound (1) have more affinity than nelfinavir. CONCLUSION: Compounds were found to have a great potential to become COVID-19 main protease Mpro inhibitor. Nevertheless, for their medicinal use, further investigation is necessary.
  • |*Antiviral Agents/pharmacology[MESH]
  • |*Catechin/pharmacology[MESH]
  • |*Protease Inhibitors/pharmacology[MESH]
  • |COVID-19[MESH]
  • |Coronavirus 3C Proteases/*antagonists & inhibitors[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]


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