Table 7.
Novel synthesis compounds (7a-o) molecular docking scores
S. No | Compounds | Rerank score | Moldock score |
---|---|---|---|
1 | 7a | − 183.22 | 139.15 |
2 | 7b | − 169.11 | − 122.36 |
3 | 7c | − 189.06 | − 145.35 |
4 | 7d | − 182.94 | − 134.42 |
5 | 7e | − 186.05 | − 195.45 − |
6 | 7f | − 196.03 | − 145.73 |
7 | 7g | − 223.52 | − 169.86 |
8 | 7h | − 205.12 | − 151.19 |
9 | 7i | − 202.95 | − 143.79 |
10 | 7j | − 212.8 | − 165.71 |
11 | 7k | − 220.63 | − 170.76 |
12 | 7l | − 214.32 | − 159.94 |
13 | 7m | − 200.47 | − 145.47 |
14 | 7n | − 193.57 | − 147.58 |
15 | 7o | − 229.95 | − 151.72 |
16 | Curcumin | − 147.20 | − 126.616 |
Bold values are related to the high activity and showing good IC50