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10.1080/07391102.2021.1960192

http://scihub22266oqcxt.onion/10.1080/07391102.2021.1960192
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34379031!ä!34379031

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suck abstract from ncbi


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pmid34379031      J+Biomol+Struct+Dyn 2022 ; 40 (21): 11357-11372
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  • Designing Self-Inhibitory fusion peptide analogous to viral spike protein against novel severe acute respiratory syndrome (SARS-CoV-2) #MMPMID34379031
  • Singh I; Singh S; Ojha KK; Yadav NS
  • J Biomol Struct Dyn 2022[]; 40 (21): 11357-11372 PMID34379031show ga
  • COVID-19 is a highly contagious viral infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), which is declared pandemic by the World Health Organization (WHO). The spike protein of SARS-CoV-2 is a key component playing a pivotal role in facilitating viral fusion as well as release of genome into the host cell. Till date there is no clinically approved vaccine or drug available against Covid-19. We designed four hydrophobic inhibitory peptides (ITPs) based on WWIHS (Wimley and White interfacial hydrophobicity scale) score, targeting the HR1 domain of spike protein. Two inhibitory peptides out of four have a strong affinity to the hydrophobic surface of HR1 domain in pre-fusion spike protein. The MD simulation result showed the strong accommodation of ITPs with HR1 domain surface. These self-inhibitory peptides mimic the function of HR2 by binding to HR1 domain, thus inhibiting the formation of HR1-HR2 post-fusion complex, which is a key structure for virus-host tropism.Communicated by Ramaswamy H. Sarma.
  • |*Peptides/pharmacology[MESH]
  • |*SARS-CoV-2/drug effects[MESH]
  • |*Spike Glycoprotein, Coronavirus/antagonists & inhibitors[MESH]
  • |Amino Acid Sequence[MESH]


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