Table 6.
Docking score and glide energy of kanjone, lanceolatin – B, milletenone, ovalitenone, pongamol with prostaglandin – 1 (PDB ID: 2OYE), prostaglandin – 2 (PDB ID: 6COX), 5-HT3 receptor (PDB ID: 5AIN), urate oxidase (PDB ID: 1R4U), protein tyrosine kinase (PDB: 1XKK), E.coli exonuclease I (PDB ID: 1FXX) and human tissue-type plasminogen activator (PDB ID: 1A5H) in kcal/mol.
| Compounds | Analgesic and Anti-inflammatory |
Antidiarrheal |
Antioxidant |
Cytotoxic |
Antibacterial |
Thrombolytic |
||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2OYE |
6COX |
5AIN |
1R4U |
1XKK |
1FXX |
1A5H |
||||||||
| Docking score | Glide energy | Docking score | Glide energy | Docking score | Glide energy | Docking score | Glide energy | Docking score | Glide energy | Docking score | Glide energy | Docking score | Glide energy | |
| Aspirin | −6.69 | −27.55 | −5.91 | −27.00 | – | – | – | – | – | – | – | – | – | – |
| Loperamide | – | – | – | – | −6.15 | −45.41 | – | – | – | – | – | – | – | – |
| Ascorbic acid | – | – | – | – | – | – | −4.32 | −27.36 | – | – | – | – | – | – |
| Doxorubicin | – | – | – | – | – | – | – | – | −7.47 | −63.00 | ||||
| Doxycycline | – | – | – | – | – | – | – | – | – | – | −6.35 | −41.23 | – | – |
| Streptokinase | – | – | – | – | – | – | – | – | – | – | – | – | −6.00 | −26.24 |
| Kanjone | −9.38 | −37.96 | −7.70 | −32.28 | −6.01 | −36.57 | – | – | −5.28 | −38.33 | −5.80 | −28.41 | −6.62 | −37.29 |
| Lanceolatin - B | −8.83 | −35.71 | −8.33 | −33.24 | −6.26 | −38.24 | −4.03 | −22.80 | −6.32 | −35.33 | −4.66 | −28.60 | −6.85 | −38.38 |
| Milletenone | −7.43 | −45.15 | −6.41 | −36.58 | −6.94 | −52.45 | −3.92 | −29.64 | −5.34 | −43.25 | −4.11 | −31.33 | −5.81 | −46.49 |
| Ovalitenone | −8.76 | −50.15 | −6.96 | −39.84 | −6.10 | −50.86 | −3.77 | −28.21 | −5.24 | −43.08 | −6.54 | −46.13 | −6.41 | −49.04 |
| Pongamol | −10.42 | −54.91 | −6.27 | −9.64 | −4.68 | −38.49 | −2.96 | −29.87 | −4.83 | −43.73 | −3.31 | −31.08 | −6.07 | −44.02 |