id author title date pages extension mime words sentences flesch summary cache txt cord-323737-6ajqy0ch Jiang, Yuanyuan Structural analysis, virtual screening and molecular simulation to identify potential inhibitors targeting 2'-O-ribose methyltransferase of SARS-CoV-2 coronavirus 2020-10-04 .txt text/plain 6799 399 51 title: Structural analysis, virtual screening and molecular simulation to identify potential inhibitors targeting 2'-O-ribose methyltransferase of SARS-CoV-2 coronavirus In the present study, we employed structural analysis, virtual screening, and molecular simulation approaches to identify clinically investigated and approved drugs which can act as promising inhibitors against nsp16 2′-O-MTase of SARS-CoV-2. In the present study, we employed structural analysis, virtual screening, and molecular simulation approaches to identify potential inhibitors targeting 2 0 -O-MTase of SARS-CoV-2. To identify inhibitors targeting nsp16, we first performed comparative analysis of primary amino acid sequences and crystal structures of seven human CoVs. Supplementary Table 1 lists the detailed genome and protein information that were employed in this study. As seen from MM-PBSA results and docking studies, drugs including Hesperidin, Osi-027, Rimegepant, Sonedenoson, and Gs-9667 had higher binding affinities than SAM with the 2 0 -O-MTase of SARS-CoV-2. ./cache/cord-323737-6ajqy0ch.txt ./txt/cord-323737-6ajqy0ch.txt