Table 4.
Binding energy scoring of the synthesized ligands (MSJ 1-10) with targeted proteins.
Ligands | Binding energies (Kcal/mol) | |||
---|---|---|---|---|
Acetylcholinesterase | Butyrylcholinesterase | α-amylase | α-Glucosidase | |
1EVE | 4BDS | 5U3A | 5NN3 | |
MSJ1 | −6.5 | −6.7 | −7.1 | −7.4 |
MSJ2 | −8.7 | −8.9 | −8.2 | −8.5 |
MSJ3 | −6.9 | −7.2 | −7.4 | −7.8 |
MSJ4 | −7.5 | −7.8 | −7.1 | −7.2 |
MSJ5 | −6.9 | −6.5 | −6.5 | −6.6 |
MSJ6 | −7.1 | −7.5 | −7.4 | −7.8 |
MSJ7 | −7.4 | −7.5 | −7.4 | −7.7 |
MSJ8 | −6.9 | −6.5 | −6.4 | −6.8 |
MSJ9 | −6.6 | −6.6 | −6.7 | −6.7 |
MSJ10 | −9.5 | −9.1 | −8.2 | −8.8 |
Galantamine | −9.9 | −9.6 | — | — |
Acarbose | — | — | −9.1 | −9.5 |