Table 4 Molecular docking parameter table.
Target protein | Docking parameters | Naringenin | Ferulic acid |
---|---|---|---|
ALB | Binding energy/kJ mol−1 | − 8.3 | − 6.1 |
(4l9k) | Participating amino acid residues (H-Bonds/π-Interactions) | H-donor LEU-185, TYR-138 | H-donor ARG-117, TYR-138 |
TNF | Binding energy/kJ mol−1 | − 5.8 | − 5.0 |
(2az5) | Participating amino acid residues (H-Bonds/π-Interactions) | H-donor TYR 151/pi-pi TYR 59 | H-donor LEU 120/pi-pi TYR 59 |
IL6 | Binding energy/kJ mol−1 | − 5.8 | − 5.1 |
(1il6) | Participating amino acid residues (H-Bonds/π-Interactions) | H-donor ARG 105 | H-donor GLU 107, SER 108 |
PPARG | Binding energy/kJ mol−1 | − 6.6 | − 5.7 |
(2fvj) | Participating amino acid residues (H-Bonds/π-Interactions) | H-donor LYS 457, GLN 470 | H-donor LEU 465, GLN 470, TYR 473 |
VEGFA | Binding energy/kJ mol−1 | − 7.8 | − 6.8 |
(5n21) | Participating amino acid residues (H-Bonds/π-Interactions) | H-donor ASP 323, SER 349 | H-donor ASP 323, SER 349, ILE 418 |