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  • Catechin Derivatives as Inhibitor of COVID-19 Main Protease (Mpro): Molecular Docking studies unveils an opportunity against CORONA #MMPMID33231155
  • Arif MN
  • Comb Chem High Throughput Screen 2020[Nov]; ä (ä): ä PMID33231155show ga
  • BACKGROUND: A new stain of corona virus COVID-19 got worldwide attention and has affected almost whole of the world 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 target to inhibit the replication of CoV. OBJECTIVE: The aim of current study is 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 is an antiretroviral drug belongs to protease inhibitors was taken as standard. RESULTS: According to the result obtained it was found that Compound (4) and Compound (1) have more affinity than nelfinavir. CONCLUSION: Compounds have a great potential to become COVID-19 main protease Mpro inhibitor. Nevertheless for their medicinal use further investigation is necessary.
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  • suck abstract from ncbi

    ä ä.ä 2020