Table 8.
S. No. | Compound | Free energy of Binding Kcal/mol | Inhibitory Constant Ki mM*/µM |
Hydrogen
Bond Formation |
Major Interactions |
---|---|---|---|---|---|
1. | Curcumin | -3.20 | 12.98 | 12 | 274 PRO,51 ARG, 52THR, 43 GLU, 407 TYR, 23 ILE, 277 LEU, 45ARG, 402 TYR, 445 MET, 273 ILE, 448 ALA |
2. | Brofaromine (Standard) | -7.53 | 3.08 | 10 | 445 MET, 52 THR, 406 CYS,448 ALA, 303 VAL, 51 ARG,397, 305 LYS, TRP, 407 TYR, 435 THR |