Table 3 Docking binding score and the free binding energy calculation based on MM-GBSA calculation of the synthesized compounds (4a–4m)
Entry | Docking binding score | MM-GBSA energy (Kcal/mol) |
|---|---|---|
4l | − 5.43 | − 76.3 |
4e | − 5.20 | − 63.2 |
4f | − 4.36 | − 43.4 |
4b | − 5.12 | − 60.12 |
4k | − 5.31 | − 75.07 |
4d | − 4.99 | − 61.3 |
4m | − 5.01 | − 60.24 |
4j | − 4.81 | − 47.9 |
4c | − 5.67 | − 59.46 |
4g | − 4.83 | − 61.8 |
4i | − 5.16 | − 65.41 |
4a | − 5.25 | − 62.95 |
4h | − 4.36 | − 54.7 |
Kojic acid | − 6.74 | − 80.6 |