Table 6 Result of pharmacological activity prediction of selected ligand molecules. Pa>0.7: Compound is very likely to have activity; Pa>0.5: Compound is likely to have activity; Pa>0.3: Compound is less likely to have activity.
From: Computer-assisted evaluation of plant-derived β-secretase inhibitors in Alzheimer’s disease
Activity | Amentoflavone | Bilobetin | Ellagic acid | |||
|---|---|---|---|---|---|---|
Pa | Pi | Pa | Pi | Pa | Pi | |
Antiparkinson | - | - | - | - | 0.163 | 0.096 |
Multiple sclerosis treatment | - | - | - | - | - | - |
Nitric oxide antagonist | 0.489 | 0.005 | 0.434 | 0.006 | 0.324 | 0.011 |
Phosphatase inhibitor | 0.489 | 0.117 | 0.358 | 0.234 | 0.702 | 0.013 |
Protein-disulfide reductase (glutathione) inhibitor | 0.417 | 0.113 | 0.290 | 0.241 | 0.572 | 0.045 |
Antineoplastic (brain cancer) | 0.256 | 0.052 | 0.252 | 0.055 | 0.208 | 0.115 |
Dementia treatment | 0.287 | 0.160 | 0.288 | 0.159 | 0.396 | 0.054 |
Nitrite reductase (NO-forming) inhibitor | 0.332 | 0.062 | 0.212 | 0.144 | 0.532 | 0.016 |
NADPH peroxidase inhibitor | 0.537 | 0.059 | 0.328 | 0.141 | 0.856 | 0.005 |
NADPH-cytochrome-c2 reductase inhibitor | 0.543 | 0.050 | 0.379 | 0.125 | 0.784 | 0.008 |
Glutathione reductase stimulant | - | - | - | - | 0.072 | 0.040 |