Table 2.
Molecular docking analysis for the major bioactive compounds.
| Compounds | Docking score (kcal/mol) | |||
|---|---|---|---|---|
| Sedative (4COF) | Anxiolytic (4UUJ) | Antidepression (5I6X) | Diarrhea (4U14) | |
| Acetamiprid | −4.694 | −2.917 | −3.937 | −5.912 |
| Alpha-BHC | −3.957 | −3.556 | −3.804 | −6.678 |
| Tetradecanoic acid, methyl ester | +2.296 | +1.459 | +0.842 | −0.749 |
| Terbufos | −3.416 | −2.895 | −3.500 | −5.847 |
| Benfuresate | −4.432 | −4.263 | — | −7.297 |
| Dichlofluanid | −4.987 | — | −4.716 | −6.908 |
| DEP (trichlorfon) | −4.899 | −4.278 | — | −5.124 |
| 1-azuleneethanol, acetate | −5.537 | −4.515 | −4.616 | −7.239 |
| Captan | −6.330 | −3.265 | −3.959 | −7.549 |
| Etridiazole | −4.828 | −3.758 | −4.266 | −5.428 |
| Diethofencarb | −4.841 | −3.828 | −3.860 | −6.239 |
| Etobenzanid | −4.620 | −3.744 | −4.377 | −7.674 |
| Cyfluthrin | −4.647 | −3.941 | −4.821 | −6.585 |
| Cypermethrin | −5.694 | −2.718 | −4.150 | −5.771 |
| Pendimethalin | −3.794 | −4.069 | −3.434 | −6.677 |
| Kresoxim-methyl | −4.235 | −3.115 | −4.834 | −5.776 |
| Tetraconazole | −3.805 | −4.217 | −4.842 | −8.106 |
| Pyributicarb | −3.104 | −3.652 | −4.815 | −7.502 |
| Standard (diazepam/imipramine/loperamide) | −5.961 | −4.035 | −5.35 | −7.33 |