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. 2021 Feb 26;12:634047. doi: 10.3389/fphar.2021.634047

TABLE 4.

Binding free energy (kcal/mol) approximation of drug molecules (Tellimagrandin I, SaikosaponinB2, Hesperidin, and (-)-Epigallocatechin Gallate) against RNA dependent RNA polymerase (RdRp).

Compounds ∆Gbinding ∆EvdW ∆Eelectrostatic ∆EGB ∆ESURF ∆Ggas ∆Gsolv
Tellimagrandin I −32.43 ± 3.06 −48.45 ± 2.65 −12.64 ± 4.14 34.41 ± 3.94 −5.75 ± 0.19 −61.10 ± 4.88 28.66 ± 3.93
SaikosaponinB2 −42.43 ± 3.25 −64.57 ± 2.33 −26.24 ± 3.16 56.38 ± 6.15 −7.99 ± 0.23 −90.81 ± 7.52 48.38 ± 6.11
Hesperidin −22.72 ± 3.64 −37.35 ± 2.64 −24.56 ± 5.70 44.06 ± 5.04 −4.87 ± 0.29 −61.91 ± 6.26 39.19 ± 4.96
(-)-Epigallocatechin gallate −24.17 ± 2.73 −39.95 ± 2.18 −4.96 ± 0.23 25.97 ± 5.95 −5.23 ± 0.36 −44.91 ± 6.76 20.73 ± 3.80