Table 7 Molecular interaction of thymoquinone (TQ), piperine (PIP), and sorafenib (SOR) against vascular endothelial growth factor receptor-2 (VEGFR-2) (target site PDB ID:3V2A-A)
| Â | Â | Thymoquinone (TQ) | Piperine (PIP) | Sorafenib (SOR) |
|---|---|---|---|---|
Total | Favorable | 4 | 3 | 10 |
Halogen | 0 | 0 | 2 | |
Hydrophobic | 3 | 2 | 5 | |
Hydrogen | 1 | 1 | 5 | |
Favorable | A: GLY134 | 0 | 0 | 1 |
A: CYS150 | 0 | 0 | 1 | |
A: GLY152 | 0 | 0 | 2 | |
A: ASN158 | 0 | 2 | 0 | |
A: VAL159 | 0 | 0 | 1 | |
A: VAL171 | 0 | 1 | 0 | |
A: GLN210 | 0 | 0 | 1 | |
A: SER211 | 0 | 0 | 1 | |
A: ILE212 | 0 | 0 | 1 | |
A: TYR214 | 0 | 0 | 2 | |
A: PHE258 | 2 | 0 | 0 | |
A: ARG275 | 1 | 0 | 0 | |
A: PHE288 | 1 | 0 | 0 | |
Halogen | A: GLY134 | 0 | 0 | 1 |
A: TYR214 | 0 | 0 | 1 | |
Hydrophobic | A: CYC150 | 0 | 0 | 1 |
A: ASN158 | 0 | 1 | 0 | |
A: VAL159 | 0 | 0 | 1 | |
A: VAL171 | 0 | 1 | 0 | |
A: GLN210 | 0 | 0 | 1 | |
A: ILE212 | 0 | 0 | 1 | |
A: TYR214 | 0 | 0 | 1 | |
A: PHE258 | 2 | 0 | 0 | |
A: PHE288 | 1 | 0 | 0 | |
Hydrogen | A: GLY134 | 0 | 0 | 1 |
A: GLY152 | 0 | 0 | 2 | |
A: ASN158 | 0 | 1 | 0 | |
A: SER211 | 0 | 0 | 1 | |
A: TYR214 | 0 | 0 | 1 | |
A: ARG275 | 1 | 0 | 0 |