Skip to main content

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 (Å) 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
  1. 2,3-Dihydro-3,5-dihydroxy-6-methyl-4 h-pyran-4-one (Compound I), 2-furancarboxaldehyde 5-(hydroxymethyl)-(Compound II), and Quinic acid (Compound III)