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. 2023 Jan 30;8(6):5234–5246. doi: 10.1021/acsomega.2c03881

Table 1. Binding Affinity Energy Values (Docking S-Scores) Estimated During Molecular Docking of the Screened S-217622 and Molnupiravir (the Positive Control Drug), Respectively, Against the Two SARS-CoV-2 Proteins, RdRp (PDB Code: 7BV2) and ExoN (PDB Code: 7MC6) Enzymes.

    docking S-score(kcal/mol)
classification compound name RdRp (7BV2) ExoN (7MC6)
target agent S-217622 –6.9 –8.7
reference drug molnupiravir –6.7 –7.1