Table 6 Docking score of ligands with protein 2CDU in molecular docking.
Sr. # | Compound ID | Compound name | Docking score (kcal/mol) | Binding energy (kcal/mol) |
|---|---|---|---|---|
1 | 261,166 | Lignan.1 | −6.949 | −49.843 |
2 | 321,710 | Oxindole.1 | −6.683 | −24.293 |
3 | 2015 | Acridone.1 | −6.521 | −33.355 |
4 | 5,280,443 | Apigenin.1 | −6.298 | −45.178 |
5 | 145,858 | Anthocyanin.1 | −6.079 | −31.245 |
6 | 9210 | Quinazoline.1 | −5.407 | −25.181 |
7 | 7020 | Xanthone.1 | −5.271 | −30.562 |
8 | 68,827 | Artimisine.1 | −5.189 | −36.923 |
9 | 7047 | Quinoline.1 | −5.179 | −24.663 |
10 | 119,036 | Quinolizidine.1 | −5.086 | −19.232 |
11 | 795 | Imidazole.1 | −4.936 | −19.103 |
12 | 638,088 | Stilbene.1 | −4.795 | −27.203 |
13 | 370 | Gallic Acid.1 | −4.103 | −35.714 |
