Table 3.
Molecular docking of plumbagin with D7 salivary protein of Aedes aegypti and odorant-binding protein of Culex quinquefasciatus.
| Sl. No | Compound | Dock Score (kcal/mol) | Inhibitory Constant | H Bond Interactions (H-D…A) | Distance (Å) |
| Plumbagin with 3DXL (Aedes aegypti) | |||||
| 1 | Co-Crystal (Epinephrine) | −5.80 | 55.64 uM | O-H…O Ile 175 Tyr 178 O-H…N His 189 N(E2)-H…O |
3.1 2.9 3.4 |
| 2 | Plumbagin | −6.71 | 12.1 uM | O-H…O Arg 176 His 189 N(E2)-H…O |
2.7 3.1 |
| Plumbagin with 3OGN (Culex quinquefasciatus) | |||||
| 3 | Co-Crystal (Hexadecanolide) | −7.82 | 1.84 uM | -- | -- |
| 4 | Plumbagin | −7.48 | 3.31 uM | PHE 123 N-H…O O-H…O PHE 123 |
2.7 2.8 |