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10.1016/j.tmaid.2020.101646

http://scihub22266oqcxt.onion/10.1016/j.tmaid.2020.101646
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suck abstract from ncbi


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pmid32294562      Travel+Med+Infect+Dis 2020 ; 35 (ä): 101646
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  • A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease #MMPMID32294562
  • Hall DC Jr; Ji HF
  • Travel Med Infect Dis 2020[May]; 35 (ä): 101646 PMID32294562show ga
  • BACKGROUND: The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications. METHOD: Utilization of the available sequence information, homology modeling, and in slico docking a number of available medications might prove to be effective in inhibiting the SARS-CoV-2 two main drug targets, the spike glycoprotein, and the 3CL protease. RESULTS: Several compounds were determined from the in silico docking models that might prove to be effective inhibitors for SARS-CoV-2. Several antiviral medications: Zanamivir, Indinavir, Saquinavir, and Remdesivir show potential as and 3CL(PRO) main proteinase inhibitors and as a treatment for COVID-19. CONCLUSION: Zanamivir, Indinavir, Saquinavir, and Remdesivir are among the exciting hits on the 3CL(PRO) main proteinase. It is also exciting to uncover that Flavin Adenine Dinucleotide (FAD) Adeflavin, B2 deficiency medicine, and Coenzyme A, a coenzyme, may also be potentially used for the treatment of SARS-CoV-2 infections. The use of these off-label medications may be beneficial in the treatment of the COVID-19.
  • |Adenosine Monophosphate/analogs & derivatives/chemistry/therapeutic use[MESH]
  • |Alanine/analogs & derivatives/chemistry/therapeutic use[MESH]
  • |Betacoronavirus/*chemistry[MESH]
  • |Binding Sites[MESH]
  • |COVID-19[MESH]
  • |COVID-19 Drug Treatment[MESH]
  • |Coronavirus 3C Proteases[MESH]
  • |Coronavirus Infections/drug therapy/*virology[MESH]
  • |Cysteine Endopeptidases/*chemistry[MESH]
  • |Drug Discovery/*methods[MESH]
  • |HIV Protease Inhibitors/chemistry/therapeutic use[MESH]
  • |Humans[MESH]
  • |Indinavir/chemistry/therapeutic use[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Off-Label Use[MESH]
  • |Pandemics[MESH]
  • |Pneumonia, Viral/drug therapy/*virology[MESH]
  • |SARS-CoV-2[MESH]
  • |Saquinavir/chemistry/therapeutic use[MESH]
  • |Spike Glycoprotein, Coronavirus/antagonists & inhibitors/*chemistry[MESH]
  • |Structural Homology, Protein[MESH]
  • |Viral Nonstructural Proteins/antagonists & inhibitors/*chemistry[MESH]


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