Table 2 Screening of GC-MS derived bioactive compounds with mycolactone protein of BU.
Sr. no | Compound | Binding Affinity kcal/mol. |
|---|---|---|
1 | Phenol, 2-methoxy | -6 |
2 | Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)- | -6.3 |
3 | Eugenol | -6 |
4 | Phenol, 5-ethenyl-2-methoxy- | -5.9 |
5 | Phenol, 2-methyl-6-(2-propenyl) | -6 |
6 | Pentadecanal | -4.9 |
7 | Phenol, 2-methyl-5-(1-methylethyl)-, acetate | -6.3 |
8 | (-)-Spathulenol | -6.9 |
9 | Benzaldehyde, 3-hydroxy-4-methoxy- | -5.5 |
10 | Aromandendrene | -7.2 |
11 | p-Cymene-2,5-diol | -6.4 |
12 | Phenol,2,6-dimethoxy- | -7 |
13 | Phytol | -6.3 |
14 | Methyl-(2-hydoxy-3-ethoxy-benzyl)ether | -5.8 |
15 | Methyl 9-cis,11-trans-octadecadienoate | -6.2 |
16 | Tetradecanoic acid | 5.2 |
17 | trans-13-Octadecenoic acid, methyl ester | 5 |
18 | 9-Octadecyne | -5.4 |
19 | 2-Pentadecylfuran | -4.9 |
20 | Adamantane | -7.1 |
21 | Pentadecanoic acid, 14-methyl-, methyl ester | -5 |
22 | Dibutyl phthalate | -6.4 |
23 | Isopropyl myristate | -5.2 |
24 | 2,4,6-Trimethyl-1,3-phenylenediamine | -5 |
25 | Octadecanaoic acid | -4.9 |
26 | Borneol | -7.7 |
27 | Phenol, 2-methyl-5-(1-methylethyl) | -6.5 |
28 | dl-.alpha.-Tocopherol | -6.6 |
29 | Gamma-sitosterol | -7.7 |
