Table 7. Molecular Docking Results of Angiotensin-Converting Enzyme Inhibitorsa.
| pharmacodynamics |
distribution |
absorption |
excretion | ||||
|---|---|---|---|---|---|---|---|
| ligand | ACE | renin | albumin | α1GlycP1 | PEPT1 | PEPT2 | OATP1 |
| lisinopril (reference ligand) | 0.66 | ||||||
| ligand X (reference ligand) | 0.04 | ||||||
| bendroflumethiazide | 0.07 | 0.13 | 0.12 | 0.22 | 0.11 | 0.87 | 0.31 |
| chlorthalidone | 0.47 | 0.10 | 0.17 | 0.67 | 0.45 | 0.46 | 0.40 |
| indapamide | 0.14 | 0.37 | 1.07 | 0.12 | 0.33 | 0.07 | 0.34 |
| losartan | 0.19 | 1.51 | 1.03 | 0.31 | 0.65 | 0.93 | |
| valsartan | 0.31 | 3.53 | 1.41 | 0.44 | 0.31 | 0.23 | 0.76 |
| nifedipine | 0.83 | 0.98 | 4.02 | 2.27 | 1.55 | 2.15 | 4.90 |
| amlodipine | 1.44 | 1.50 | 4.14 | 4.46 | 7.79 | ||
| ramipril | 0.41 | 1.49 | 2.27 | 0.50 | 0.99 | 0.36 | 0.70 |
| enalapril | 1.17 | 2.14 | 0.41 | 0.99 | 4.53 | 0.56 | 3.45 |
| lisinopril | 1.43 | 1.69 | 0.89 | 1.84 | 2.67 | 1.72 | 4.62 |
| mitraphylline | 0.17 | 0.10 | 0.96 | 0.07 | 0.22 | 2.02 | 0.19 |
| 8-hydroxytricetin 7-glucuronide | 0.06 | 0.26 | 0.08 | 1.12 | 0.12 | 0.05 | 0.15 |
| oleanolic acid | 0.13 | 0.08 | 0.04 | 0.06 | 0.01 | 0.50 | 0.09 |
| verbascoside | 0.18 | 0.41 | 0.11 | 1.42 | 0.15 | 3.29 | 0.01 |
| rutin | 0.10 | 0.35 | 0.09 | 0.34 | 0.56 | 0.05 | 0.08 |
| corilagin | 0.02 | 0.35 | 0.49 | 0.21 | 0.04 | 1.45 | 0.53 |
| reserpine | 2.00 | 0.49 | 1.80 | 2.98 | 0.21 | ||
| vincamine | 0.39 | 0.09 | 7.33 | 0.81 | 1.53 | 3.85 | 0.78 |
| coreximine | 0.68 | 4.82 | 1.74 | 2.22 | 1.03 | 0.31 | 1.31 |
| kaempferol | 1.28 | 4.83 | 0.49 | 0.78 | 1.56 | 1.01 | 2.48 |
| quercitrin | 0.20 | 0.54 | 1.62 | 0.28 | 0.43 | 0.78 | 0.45 |
| apigenin | 1.38 | 4.21 | 0.42 | 0.79 | 1.43 | 0.58 | 1.87 |
| astragalin | 0.23 | 0.96 | 0.41 | 1.33 | 0.63 | 4.70 | 0.82 |
| aucubin | 1.42 | 4.18 | 7.94 | 3.39 | 7.81 | 1.33 | |
| adenosine | 6.69 | 9.99 | 9.67 | 3.79 | |||
| caffeic acid | 1.42 | 8.83 | |||||
| tryptophan | 9.54 | 5.80 | 9.24 | ||||
| subaphyllin | 8.70 | 9.54 | 4.59 | ||||
| estragole | 5.85 | ||||||
| α-linolenic acid | 8.09 | 9.13 | 8.32 | ||||
Binding affinities are presented as dissociation constants (Kd) in μM. Dissociation constants of reference ligands of corresponding proteins and selected antihypertensive drugs are also presented.