Compound | Docking score | Binding energy (Kcal/mol) | Glide hbond | Glide evdw | Glide ecoul |
---|---|---|---|---|---|
C4a | − 10.091 | − 62.674 | − 3.305 | − 45.684 | − 16.99 |
C4b | − 9.833 | − 56.267 | − 3.216 | − 38.903 | − 17.364 |
C4c | − 9.116 | − 52.149 | − 3.184 | − 38.257 | − 13.892 |
C4d | − 10.603 | − 63.352 | − 3.675 | − 40.113 | − 23.239 |
C4e | − 9.723 | − 48.832 | − 3.839 | − 31.028 | − 17.804 |
C4f | − 9.475 | − 61.373 | − 3.216 | − 40.351 | − 21.021 |
C4g | − 9.211 | − 51.97 | − 3.315 | − 35.28 | − 16.69 |
C4h | − 9.653 | − 58.22 | − 3.352 | − 42.567 | − 15.653 |
Thiourea | − 3.459 | − 21.156 | − 1.484 | − 13.004 | − 8.152 |
AHA | − 3.049 | − 17.454 | − 1.311 | − 8.936 | − 8.523 |