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10.1007/s40268-020-00312-5

http://scihub22266oqcxt.onion/10.1007/s40268-020-00312-5
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32592145!7319219!32592145
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suck abstract from ncbi


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pmid32592145      Drugs+R+D 2020 ; 20 (3): 161-169
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  • Identification of a Potential Peptide Inhibitor of SARS-CoV-2 Targeting its Entry into the Host Cells #MMPMID32592145
  • Baig MS; Alagumuthu M; Rajpoot S; Saqib U
  • Drugs R D 2020[Sep]; 20 (3): 161-169 PMID32592145show ga
  • BACKGROUND AND OBJECTIVE: Coronavirus disease (COVID-19) is an ongoing pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Due to the incessant spread of the disease with substantial morbidity and mortality rates, there is an urgent demand for effective therapeutics and vaccines to control and diminish this pandemic. A critical step in the crosstalk between the virus and the host cell is the binding of SARS-CoV-2 spike protein to the angiotensin-converting enzyme 2 (ACE2) receptor present on the surface of the host cells. Hence, inhibition of this interaction could be a promising strategy to combat the SARS-CoV-2 infection. METHODS: Docking and Molecular Dynamics (MD) simulation studies revealed that designed peptide maintains their secondary structure and provide a highly specific and stable binding (blocking) to SARS-CoV-2. RESULTS: We have designed a novel peptide that could inhibit SARS-CoV-2 spike protein interaction with ACE2, thereby blocking the cellular entry of the virus. CONCLUSION: Our findings suggest that computationally developed inhibitory peptide may be developed as an anti-SARS-CoV-2 agent for the treatment of SARS-CoV-2 infection. We further plan to pursue the peptide in cell-based assays and eventually for clinical trials.
  • |Angiotensin-Converting Enzyme 2[MESH]
  • |Antiviral Agents/pharmacology[MESH]
  • |Betacoronavirus/isolation & purification/*metabolism[MESH]
  • |COVID-19[MESH]
  • |Coronavirus Infections/*prevention & control/virology[MESH]
  • |Humans[MESH]
  • |Molecular Docking Simulation[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |Pandemics/*prevention & control[MESH]
  • |Peptides/*pharmacology[MESH]
  • |Peptidyl-Dipeptidase A/metabolism[MESH]
  • |Pneumonia, Viral/*prevention & control/virology[MESH]
  • |SARS-CoV-2[MESH]
  • |Spike Glycoprotein, Coronavirus/*metabolism[MESH]


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