[2P-1] Poster 2 (2P-01ー2P-37)

[2P-30] Domain motions in SARS-CoV and SARS-CoV-2 RNA-dependent RNA polymerases studied by molecular dynamics simulations

^○Satoru Itoh^1,2,3, Shoichi Tanimoto¹, Hisashi Okumura^1,2,3 (1.IMS, 2.ExCELLS, 3.Sokendai)

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) causes coronavirus disease 2019 (COVID-19). One of the promising drug targets is an RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2. The tertiary structure of the SARS-CoV-2 RdRp is the same as that of the SARS-CoV RdRp. However, the activity of the SARS-CoV RdRp is higher than that of the SARS-CoV-2 RdRp. Such difference is expected to come from a difference in their dynamic properties. We performed molecular dynamics (MD) simulation to investigate the difference in the dynamic properties. We found differences in domain motions between the SARS-CoV and SARS-CoV-2 RdRp.