International Journal of Phytomedicine and Phytotherapy
Table 5 Binding energy, No. of H- Bonds, H- Bond length, H-bond with and hydrophobic interactions of TGF-β1 ligands with receptors
From: Antioxidant and in vivo hepatoprotective effects of Gardenia gummifera L.f. fruit methanol extract
Ligands | Target Protein | Affinity (kcal/mol) | No. of H-bonds | H-bond length (Ã…) | H-bond with | Hydrophobic interactions |
|---|---|---|---|---|---|---|
Silymarin | TGF-β1 | –6.8 | 3 | 3.14, 3.00 3.04 | Ser241 Arg240 | Phe243, Ile367, Arg244, Glu247, Leu354, Gly353, Val373, Phe216, Glu238, Arg237 |
 Compound I | –4.0 | 1 | 2.87 | Ser241 | Arg244, Leu354, Gly353, Phe216, Arg240 | |
 Compound II | –4.6 | 2 | 2.82 3.28 | Asp351 Lys232 | Leu260, Tyr249, Glu245, Phe262, Leu278, Ser280 | |
 Compound III | –4.3 | 2 | 3.20 3.25 | Ser241 Arg244 | Leu354, Gly353, Arg240, Ile367 |