Table 3 Docking scores and chemical properties of compounds analyzed for activity.
Compounds | Chemical structure | Docking score(kcal/mol) | Molecular Weight | LogP | Rotatable Bonds | Acceptors | Donors | Surface Area |
|---|---|---|---|---|---|---|---|---|
Apigenin 7-O-glucoside |
| -6.6 | 432.38 g/mol | 1.98 | 4 | 10 | 6 | 170.05 Ų |
Camphor |
| -4.4 | 152.23 g/mol | 2.12 | 0 | 1 | 0 | 17.07 Ų |
Ciryneol C |
| -4.6 | 296.83 g/mol | 4.07 | 9 | 2 | 2 | 40.46 Ų |
Dihydroxy-6,7-dimethoxyflavone 4’-glucoside |
| -4.9 | 476.43 g/mol | 3.01 | 6 | 11 | 5 | 168.28 Ų |
Ergoline-8-carboxylic acid,10-mrthoxy6-methyl-,methyl ester, (8 alpha) |
| -6.3 | 212.29 g/mol | 2.02 | 0 | 1 | 2 | 27.82 Ų |
Hispidulin |
| -5.8 | 300.26 g/mol | 2.27 | 2 | 6 | 3 | 100.13 Ų |
Luteolin |
| -5.9 | 286.24 g/mol | 1.86 | 1 | 6 | 4 | 111.13 Ų |
Pectolinarigenin 7-glucoside |
| -6.3 | 476.43 g/mol | 3.05 | 6 | 11 | 5 | 168.28 Ų |
Phytol |
| -4.1 | 296.53 g/mol | 4.85 | 13 | 1 | 1 | 20.23 Ų |
Scopoletin |
| -5.1 | 192.17 g/mol | 1.86 | 1 | 4 | 1 | 59.67 Ų |
Deltamethrin |
| -5.3 | 505.20 g/mol | 4.12 | 7 | 4 | 0 | 59.32 Ų |
