Table 2 Table represents the Van der Waals, electrostatic, polar solvation, SASA and binding energy in kJ·mol−1 for control compound and predicted hits.
From: Repurposing of drugs against methyltransferase as potential Zika virus therapies
Sr. No. | Compound name | Van der Waals energy | Electrostatic energy | Polar solvation energy | SASA energy | Binding energy kJ mol−1 |
|---|---|---|---|---|---|---|
1 | SFG | −187.57 ± 8.94 | −28.79 ± 9.27 | 121.90 ± 11.71 | −20.08 ± 0.84 | −114.53 ± 11.27 |
2 | Ceforanide | −262.58 ± 12.28 | −123.46 ± 12.66 | 226.42 ± 15.98 | −22.4 ± 0.92 | −182.01 ± 11.88 |
3 | Squanavir | −219.51 ± 12.77 | −24.88 ± 11.21 | 100.02 ± 20.80 | −23.82 ± 1.56 | −168.19 ± 13.57 |
4 | Amcinonide | −172.15 ± 10.06 | −64.83 ± 12.59 | 163.90 ± 21.07 | −18.08 ± 1.22 | −91.16 ± 15.02 |
5 | Cefpiramide | −282.00 ± 13.71 | −234.64 ± 29.50 | 420.028 ± 40.96 | −25.95 ± 1.12 | −122.56 ± 25.74 |
6 | Olmesartan Medoxomil | −237.98 ± 14.84 | −59.04 ± 9.95 | 167.70 ± 19.18 | −21.32 ± 1.22 | −150.65 ± 16.31 |
