Table 1.
Compound | AutoDock | Compound | AutoDock | ||||||
---|---|---|---|---|---|---|---|---|---|
Einter | Eintra | Etors | ∆G | Einter | Eintra | Etors | ∆G | ||
1 | −6.87 | −0.47 | 1.19 | −5.64 | 16 | −4.64 | −0.15 | 0.3 | −4.35 |
2 | −7.22 | −0.59 | 1.19 | −6.71 | 17 | −4.77 | −0.37 | 0.6 | −5.01 |
3 | −4.55 | −0.56 | 0.3 | −4.65 | 18 | −5.95 | −0.86 | 0.89 | −5.03 |
4 | −4.95 | −0.02 | 0.3 | −5.07 | 19 | −4.84 | −1.45 | 0.89 | −4.33 |
5 | −4.65 | −0.1 | 0.3 | −4.38 | 20 | −4.67 | −1.13 | 0.6 | −4.69 |
6 | −4.95 | 0.03 | 0.3 | −4.41 | 21 | −4.61 | −1.27 | 0.6 | −4.23 |
7 | −6.01 | −0.55 | 0.89 | −5.14 | 22 | −4.29 | 0.02 | 0.3 | −4.32 |
8 | −4.86 | −0.09 | 0.3 | −5.04 | 23 | −3.97 | 0 | 0 | −4.47 |
9 | −6.56 | −1.73 | 0.89 | −5.24 | 24 | −5.89 | −0.38 | 0.89 | −6.08 |
10 | −4.66 | 0.03 | 0.3 | −3.83 | 25 | −4.89 | −0.25 | 0.6 | −6.1 |
11 | −4.35 | −0.06 | 0.3 | −4.59 | 26 | −4.12 | 0 | 0 | −4.59 |
12 | −4.79 | 0.01 | 0.3 | −4.58 | 27 | −5.59 | −0.59 | 0.89 | −5.25 |
13 | −4.56 | −0.26 | 0.6 | −4.84 | 28 | −4.91 | −0.11 | 0.3 | −5.13 |
14 | −4.49 | 0 | 0 | −5.28 | 29 | −4.54 | −0.68 | 0.3 | −5.35 |
15 | −4.56 | −0.14 | 0.6 | −4.36 | 30 | −4.42 | −0.89 | 0.89 | −4.6 |
1, 3-(2-benzimidazolyl)-7-(diethylamino)coumarin; 2, 3-(2-benzothiazolyl)-7-(diethylamino)coumarin; 3, 3-Aminocoumarin; 4, 3-Acetylcoumarin; 5, 4-Methoxycoumarin; 6, 4-Hydroxycoumarin; 7, 5,7-dihydroxy-4-phenyl coumarin; 8, 6-Nitrocoumarin; 9, 7,8-dihydroxy-4-phenyl coumarin; 10, 7-amino-4-phenyl coumarin; 11, 7-methoxycoumarin(herniarin); 12, 7-mercapto-4-methyl coumarin; 13, 6,7-dimethoxy coumarin(Scoparone); 14, Psoralen; 15, 7-Hydroxy-6-methoxycoumarin(Scopoletin); 16, Xanthotoxin; 17, Pimpinellin; 18, Imperatorin; 19, Fraxetin; 20, Esculetin; 21, Daphnetin; 22, Umbelliferone; 23, Coumarin; 24, Oxypeucedanin; 25, Isopimpinellin; 26, 6-Methylcoumarin; 27, Osthole; 28, Bergapten; 29, Xanthotol; 30, Isofraxidin.