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10.1002/jmv.25768

http://scihub22266oqcxt.onion/10.1002/jmv.25768
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suck abstract from ncbi


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pmid32181901      J+Med+Virol 2020 ; 92 (9): 1542-1548
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  • A guideline for homology modeling of the proteins from newly discovered betacoronavirus, 2019 novel coronavirus (2019-nCoV) #MMPMID32181901
  • Dong S; Sun J; Mao Z; Wang L; Lu YL; Li J
  • J Med Virol 2020[Sep]; 92 (9): 1542-1548 PMID32181901show ga
  • During an outbreak of respiratory diseases including atypical pneumonia in Wuhan, a previously unknown beta-coronavirus was detected in patients. The newly discovered coronavirus is similar to some beta-coronaviruses found in bats but different from previously known SARS-CoV and MERS-CoV. High sequence identities and similarities between 2019-nCoV and SARS-CoV were found. In this study, we searched the homologous templates of all nonstructural and structural proteins of 2019-nCoV. Among the nonstructural proteins, the leader protein (nsp1), the papain-like protease (nsp3), the nsp4, the 3C-like protease (nsp5), the nsp7, the nsp8, the nsp9, the nsp10, the RNA-directed RNA polymerase (nsp12), the helicase (nsp13), the guanine-N7 methyltransferase (nsp14), the uridylate-specific endoribonuclease (nsp15), the 2'-O-methyltransferase (nsp16), and the ORF7a protein could be built on the basis of homology templates. Among the structural proteins, the spike protein (S-protein), the envelope protein (E-protein), and the nucleocapsid protein (N-protein) can be constructed based on the crystal structures of the proteins from SARS-CoV. It is known that PL-Pro, 3CL-Pro, and RdRp are important targets for design antiviral drugs against 2019-nCoV. And S protein is a critical target candidate for inhibitor screening or vaccine design against 2019-nCoV because coronavirus replication is initiated by the binding of S protein to cell surface receptors. It is believed that these proteins should be useful for further structure-based virtual screening and related computer-aided drug development and vaccine design.
  • |*Computational Biology/methods[MESH]
  • |*Molecular Dynamics Simulation[MESH]
  • |Betacoronavirus/*genetics[MESH]
  • |Humans[MESH]
  • |Middle East Respiratory Syndrome Coronavirus/genetics[MESH]
  • |Open Reading Frames[MESH]
  • |SARS-CoV-2/*genetics[MESH]
  • |Sequence Alignment/methods[MESH]
  • |Structure-Activity Relationship[MESH]


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