The Libdock interaction energy of some newly synthesized compounds.
| Compound ID | Interaction diagram | Binding mode with tubulin | Libdock interaction energy (K cal mol−1) |
|---|---|---|---|
| Ref. comp. 3 |
|
CYS241 | −102 |
| Ref. comp. 4 |
|
CYS241 | −97 |
| Vb |
|
CYS241 | −96.3 |
| Vc |
|
CYS241 | −87.5 |
| Vd |
|
CYS241 | −81.3 |
| Vf |
|
CYS241 | −98.71 |
| Vj |
|
CYS241 | −105.8 |
| Vk |
|
CYS241 | −94.6 |
| VI |
|
CYS241 | −104.95 |
| VIIIa |
|
CYS241 | −91.5 |
| VIIIb |
|
CYS241 | −95.2 |
| VIIId |
|
CYS241 | −97.33 |