Table 3.
Binding Affinities (Kcal/mol) from 1-Click Docking between Conventional Ligands and Oil Blend Compounds Targeting p16INK4a
| Ligand | Target Molecule | Molecular Affinity (Kcal/mol) |
|---|---|---|
| Cisplatin | P16 INK4a | -5.5 |
| Paclitaxel | P16 INK4a | -5.4 |
| Bevacizumab | P16 INK4a | -4.8 |
| Pembrolizumab | P16 INK4a | -4.7 |
| Topotecan | P16 INK4a | -5.1 |
| Curcumin | P16 INK4a | -7.8 |
| Resveratrol | P16 INK4a | -8.2 |
| Epigallocatechin gallate | P16 INK4a | -8 |
| Olaparib | P16 INK4a | -5.8 |
| Everolimus | P16 INK4a | -6.7 |
| Temsirolimus | P16 INK4a | -5.9 |
| Oleic Acid | P16 INK4a | -3.7 |
| g-Tocopherol | P16 INK4a | -7.9 |
| Sitosterol | P16 INK4a | -7.9 |
| quercetin 3-O-glucoside | P16 INK4a | -8.7 |
| apigenin 5-O-glucoside | P16 INK4a | -8.9 |
| kaempferol 3-O-glycoside | P16 INK4a | -7.6 |
| Eugenol | P16 INK4a | -8 |
| Eugenyl Acetate | P16 INK4a | -8.8 |
| b-Caryophillene | P16 INK4a | -7.3 |