Table 3.
Binding energies obtained from docking experiments of most abundant compounds in Lloime leaves extract, as well as binding energies of the known inhibitors, galantamine and kojic acid over acetylcholinesterase (TcAChE) butyrylcholinesterase (hBChE) and tyrosinase.
| Compound | Binding Energy (kcal/mol) Acetylcholinesterase |
Binding Energy (kcal/mol) Butyrylcholinesterase |
Binding Energy (kcal/mol) Tyrosinase |
|---|---|---|---|
| 5-hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one | −9.154 | −7.987 | −5.908 |
| Luteolin 7,4′-dimethyl ether | −10.506 | −8.562 | −6.054 |
| Apigenin 5-glucoside | −12.798 | −10.378 | −9.018 |
| Quercetin 3-O-ß-D-2″-acetylglucuronide | −14.064 | −10.933 | −10.333 |
| Quercetin 3-O-ß-D-2″-acetylglucuronide methyl ester | −15.497 | −11.803 | −9.018 |
| Quercetin 3-O-(ß-D-glucuronide) | −14.144 | −12.888 | −10.038 |
| Quercetin 3-O-ß-D-(glucuronide methyl ester) | −14.518 | −12.169 | −9.169 |
| 8-O-methyl daphnin (daphnetin 7 O-(5″O-methyl-glucose, 8-methyl ether) | −12.651 | −10.812 | −8.456 |
| Galantamine | −12.989 | −7.125 | - |
| Kojic acid | - | - | −6.050 |