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. 2025 Mar 13;15:8704. doi: 10.1038/s41598-025-93316-7

Table 3.

The mean interaction energies of the drug Ribavirin and Ligs 1–3 and to the viral targets (i.e., SARS-CoV-2 RdRp and HCV NS5B) in a dynamic state.

Compounds Elec (kj/mol) VdW (kj/mol) Total H-bond
SARS-CoV-2 RdRp
Ribavirin  − 45.02  − 58.04  − 103.06 2.5
Lig-1  − 48.87  − 95.03  − 143.90 1.7
Lig-2  − 30.75  − 64.21  − 94.96 2.1
Lig-3  − 44.01  − 85.63  − 129.64 2.5
HCV NS5B
Ribavirin  − 68.96  − 118.05  − 187.01 3.0
Lig-1  − 15.83  − 82.17  − 98.0 1.5
Lig-2 4.57  − 164.51  − 159.94 2.7
Lig-3  − 24.62  − 141.86  − 166.48 2.9