Table 3.
Molecular docking analysis of Bergenin.
| Proteins | PDB ID | Binding Energy (Kcal/mol) |
Hydrogen Bonds | Hydrogen Bond Amino Acids |
Hydrophobic Interactions |
|---|---|---|---|---|---|
| Keap-1 | 1U6D | −7.8 | 6 | Val606, Gly367, Ala607, Val418, Val465, Val467 | Val420 |
| Nrf-2 | 2FLU | −8.3 | 3 | Val465, Val608, Ala466 | Val369, Ala607 |
| HO-1 | 1irm | −6.6 | 3 | Arg85, Ala87, His84 | Arg86, Pro80 |
| TLR-4 | 3vq2 | −7.2 | 3 | Gln505, Ser480, Asn456 | --- |
| IκB-α | 6y1j | −7.2 | 4 | Glu182, Ser64,Glu133, Gln67 | Arg60 |
| NF-κB | 1vkx | −8.8 | 4 | Gln247, Arg246, DA18, DA17 | Lys541, Lys572 |
| Bcl-2 | 2W3L | −7.7 | 2 | Arg26, Arg68 | --- |
| Bax | 5W62 | −5.8 | 4 | Ile175, Asn73, Ser72, Glu69 | --- |
| Casp-3 | 2XYG | −6.1 | 6 | Met44, Lys82, Gly45, Glu84, Tyr41, Tyr83, Glu43 | --- |
| Aβ | 4mvl | −7.3 | 2 | Lys30, GLN26 | His28 |