Table 1.
Molecular Docking parameters. AutoDock 4.2 molecular Docking software was used for semi-flexible Docking between DT and P-gp. The tested protein was treated as rigid while keeping the ligand flexible. P-gp: P-glycoprotein; DT- diosmetin.
| Size of girid box | 100 × 100 × 100 |
|---|---|
| Girid points spaced | 0.375 |
| Algorithm | Lamarckian genetic algorithm (LGA) |
| Genetic algorithm runs | 30 |
| Population size | 300 inviduals |
| Maximum numer of Energy evaluations | 250,000 |
| Gegenerations | 150,000 |
| Mutation rate | 0.02 |
| Crossover rate | 0.80 |