Research Article
Ligand-Based and Structure-Based Investigation for Alzheimer’s Disease from Traditional Chinese Medicine
Table 1
Docking scores, bioactivity predictions, and consensus votinga of the TCM candidates and control.
| | Name | SVM | MLR | Bayesian Network | Dock score | Sum of scores |
| | Lathyranoic acid A | 4.81 (0) | 5.12 (0) | 5.45 (0) | 86.20 (1) | 1 | | Daphnetoxin | 5.09 (0) | 8.89 (1) | 7.46 (2) | 84.88 (1) | 4 | | Aurantiamide | 4.89 (0) | 6.42 (0) | 5.43 (0) | 83.89 (1) | 1 | | (6aR,11aR)-9,10-Dimethoxypterocarpan-3-O-beta-D-glucoside | 5.00 (0) | 8.33 (1) | 5.56 (0) | 83.50 (0) | 1 | | Picrasidine M | 5.10 (1) | 7.51 (0) | 5.65 (0) | 69.60 (0) | 1 | | 12-O-Acetylphorbol-13-tigliate | 4.91 (0) | 7.40 (0) | 6.15 (0) | 68.88 (0) | 0 | | 20-O-(2′E,4′E-Decadienoyl)ingenol | 4.91 (0) | 6.87 (0) | 6.35 (2) | 68.52 (0) | 2 | | Howiinol A II | 5.24 (1) | 6.87 (0) | 5.40 (0) | 68.11 (0) | 1 | | Moellendorffiline | 5.15 (1) | 6.64 (0) | 5.98 (0) | 63.24 (0) | 1 | | Lythrancine II | 5.03 (0) | 8.92 (1) | 6.74 (2) | 62.03 (0) | 3 |
| |
Tacrolimus* | 5.11 | 6.25 | 5.33 | 58.10 | — |
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Control. Consensus voting not applied to control.
aVoting scores are given in parenthesis.
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