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10.3390/v12040428

http://scihub22266oqcxt.onion/10.3390/v12040428
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32290077!7232534!32290077
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suck abstract from ncbi


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pmid32290077      Viruses 2020 ; 12 (4): ä
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  • Molecular Mechanism of Evolution and Human Infection with SARS-CoV-2 #MMPMID32290077
  • He J; Tao H; Yan Y; Huang SY; Xiao Y
  • Viruses 2020[Apr]; 12 (4): ä PMID32290077show ga
  • The outbreak of a novel coronavirus, which was later formally named the severe acute respiratory coronavirus 2 (SARS-CoV-2), has caused a worldwide public health crisis. Previous studies showed that SARS-CoV-2 is highly homologous to SARS-CoV and infects humans through the binding of the spike protein to ACE2. Here, we have systematically studied the molecular mechanisms of human infection with SARS-CoV-2 and SARS-CoV by protein-protein docking and MD simulations. It was found that SARS-CoV-2 binds ACE2 with a higher affinity than SARS-CoV, which may partly explain that SARS-CoV-2 is much more infectious than SARS-CoV. In addition, the spike protein of SARS-CoV-2 has a significantly lower free energy than that of SARS-CoV, suggesting that SARS-CoV-2 is more stable and may survive a higher temperature than SARS-CoV. This provides insights into the evolution of SARS-CoV-2 because SARS-like coronaviruses have originated in bats. Our computation also suggested that the RBD-ACE2 binding for SARS-CoV-2 is much more temperature-sensitive than that for SARS-CoV. Thus, it is expected that SARS-CoV-2 would decrease its infection ability much faster than SARS-CoV when the temperature rises. These findings would be beneficial for the disease prevention and drug/vaccine development of SARS-CoV-2.
  • |*Biological Evolution[MESH]
  • |Angiotensin-Converting Enzyme 2[MESH]
  • |Betacoronavirus/*metabolism[MESH]
  • |COVID-19[MESH]
  • |Coronavirus Infections/metabolism/*virology[MESH]
  • |Hot Temperature[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |Pandemics[MESH]
  • |Peptidyl-Dipeptidase A/*metabolism[MESH]
  • |Pneumonia, Viral/metabolism/*virology[MESH]
  • |Protein Binding[MESH]
  • |Protein Stability[MESH]
  • |SARS-CoV-2[MESH]
  • |Severe acute respiratory syndrome-related coronavirus/metabolism[MESH]


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