Table 4.
S. No | Name | CID | Energies = Kcal/mol | ||
---|---|---|---|---|---|
Docking Score | Binding Energy | Binding Affinity | |||
1 | Dodecanoic acid, ethyl ester | 7800 | −6.27 | −39.87 | −8.33 |
2 | Linoleic acid ethyl ester | 5,282,184 | −5.89 | −50.55 | −9.74 |
3 | Hexadecanoic acid, methyl ester | 8181 | −5.28 | −41.29 | −8.88 |
4 | Isopropyl myristate | 8042 | −4.82 | −41.10 | −9.1 |
5 | Methyl tetradecanoate | 31,284 | −4.73 | −38.65 | −8.64 |
6 | Hexahydrofarnesyl acetone | 10,408 | −4.45 | −40.55 | −9.2 |
7 | Myristic acid, ethyl ester | 31,283 | −4.22 | −40.40 | −8.68 |
8 | Pentadecanoic acid, ethyl ester | 38,762 | −4.01 | −43.75 | −8.76 |
9 | Thymol | 6989 | −3.61 | −25.49 | −6.39 |
10 | Isopropyl palmitate | 8907 | −3.19 | −47.79 | −9.81 |
11 | α-D-glucose | 7,9025 | −3.66 | −33.49 | −6.35 |