Table 3.
Docking scores or binding affinity of the selected compounds with the kappa-opioid receptor (PDB: 6VI4), human delta-opioid receptor (PDB: 4RWD), Beta-ketoaryl-ACP synthase 3 receptor (PDB: 1HNJ), Glutathione reductase (PDB: 3GRS), Urase oxidase (1R4U) for the antidiarrheal, antibacterial and antioxidant activity respectively
| Docking Score | ||||||
|---|---|---|---|---|---|---|
| Antidiarrheal | Antibacterial | Antioxidant | ||||
| Compounds | PubChem ID | 4RWD | 6VI4 | 1HNJ | 3GRS | 1R4U |
| Standard (Loperamide/Amoxicillin/Ascorbic acid) | 3955/ 2764/54670067 | −6.6 | −10.1 | −4.5 | −6.0 | −5.4 |
| Alpha-Amyrin | 73170 | −7.9 | −10.3 | −4.5 | −10.1 | −6.7 |
| Beta-Amyrin | 73145 | −7.2 | −9.5 | – | −10.4 | −7.1 |
| Monoglyceryl stearic acid | 24699 | −4.3 | −9.8 | −6.1 | −5.5 | − 4.6 |
| Penduletin | 5320462 | −5.4 | −8.4 | −5.7 | −7.4 | −6.1 |