Table 1: Molecular Docking Scores:
Molecular docking scores of Tolfenamic acid and Mithramycin against SP1, SP3 and Survivin.
| Sl. No. | Target | PubChem CID | Drug | Binding Energy (kcal/mol) | No. of H -Bonds | H-Bond Forming Residues | Average Distance of H-Bonds (Å) |
|---|---|---|---|---|---|---|---|
| 1. | SP1 | 610479 | Tolfenamic acid | −4.099 | 2 | Thr739 | ~2.444 |
| 2. | SP1 | 163659 | Mithramycin | −10.498 | 11 | Lys684, Lys693, Arg694, His708, Lys711, Glu733, Glu757, Pro692 | ~2.352 |
| 3. | SP3 | 610479 | Tolfenamic acid | −5.121 | 2 | Arg649, Leu771 | ~2.403 |
| 4. | SP3 | 163659 | Mithramycin | −13.971 | 9 | Lys660, Lys701, Lys707, Leu771, Gln704, Ser713, Glu667, | ~2.061 |
| 5. | Survivin | 610479 | Tolfenamic acid | −1.617 | 3 | Gln92, Glu40 | ~2.423 |
| 6. | Survivin | 163659 | Mithramycin | −8.199 | 12 | Lys15, Lys78, Gln92, Glu36, Glu40, Val89, Lys91, Leu87, Glu94, Gln92 | ~2.259 |