| S. No |
Lead molecule |
Binding affinity with native (Kcal/mol) |
Binding affinity with mutant (Kcal/mol) |
| 1 |
Dapsone |
-36.06 |
-32.96 |
| 2 |
Bicyclo[4.1.0]heptane,7-pentyl |
-28.36 |
-38.79 |
| 3 |
Methyl6,9-octadecadienoate |
-35.1 |
-34.84 |
| 4 |
Hexadecanoicacid,butyl ester |
-30.59 |
-31.34 |
| 5 |
Octadecanoic acid, butyl ester |
-34.98 |
-25.17 |
| 6 |
Squalene |
-45.12 |
-42.01 |
| 7 |
Hentriacontane |
-34.84 |
-29.88 |
| 8 |
Dl-alpha-tocopherol |
-48.17 |
-46.86 |
| 9 |
Vitamin E |
-48.17 |
-46.86 |
|
