Table 6 Binding energies of selected druglike-compounds taken from an n-hexane extract of A. nobilis.
Compound’s name | TNF-α | TGF-β R1 | Bcl-2 | iNOS |
|---|---|---|---|---|
Methylcyclohexane | − 4.4 | − 5 | − 7 | − 5.8 |
2,2-Dimethoxybutane | − 4 | − 4.2 | − 3.9 | − 4.2 |
Isovaleric acid | − 4.1 | − 4.9 | − 4.4 | − 4.5 |
2-Methylbutanoic acid | − 4.2 | − 5.1 | − 4.4 | − 4.6 |
3,3-Dimethylacrylic acid | − 4.2 | − 4.7 | − 4.2 | − 5.0 |
Beta-Hydroxyisovaleric acid | − 4.5 | − 4.9 | − 4.3 | − 4.4 |
2,4-Di-tert-butylphenol | − 6.5 | − 7 | − 6.4 | − 7.1 |
2-Methyl-6-(4-methylphenyl)hept-2-en-4-one | − 6.9 | − 8.0 | − 7.3 | − 8.6 |
6,7-Dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione | − 6.0 | − 7.2 | − 6.2 | − 7.3 |
Phenol,2-methyl-5-(1,2,2-trimethylcyclopentyl) | − 7.6 | − 7.8 | − 6.8 | − 7.4 |
Deoxyshikonin | − 7.2 | − 9.1 | − 7.2 | − 9.2 |
2-(3,7-Dimethyl-octa-2,6-dienyl)-1,4-dimethoxy-benzene | − 6.2 | − 8.1 | − 6.8 | − 8.7 |
1,1′-2,2′-Bis[2,3-dimethylbenzoquinonyl] | − 7.0 | − 5.8 | − 6.7 | − 7.1 |
Ethyl cholate | − 7.8 | − 7.4 | − 7.0 | − 8.9 |
Sorafenib(anticancer agent) | − 7.7 | − 7.9 | − 7.6 | − 8.4 |
