Table 2.
Binding interactions of ALR, RAGE and sorbitol dehydrogenase with identified constituents of FCS.
| Targets | Compound | Docking score |
Hydrogen bonding |
Hydrophobic interaction |
|
|---|---|---|---|---|---|
| Amino acid | Distance (Å) | ||||
| ALR | (F1) | −2.65 | SER218 | 2.52 | – |
| (F2) | −3.33 | TYR209 | 2.12 | TRP111, CYS298, ILE260 | |
| ASN160 | 2.43 | ||||
| (F3) | −3.22 | TRP319 | 1.64 | – | |
| (F4) | −2.94 | – | – | SER214,TRP20A, LYS21A, ILE260 | |
| (F5) | −3.52 | TRP219 | 1.75 | – | |
| (F6) | −2.78 | TRP219 | 1.57 | GLN183, ILE260, ASP43A, LYS77A, TYR209 | |
| (F7) | −3.46 | SER214 | 2.14 | – | |
| RAGEs | (F1) | −3.11 | Van der waal’s interactions only | ||
| (F2) | −1.34 | – | – | GLY199, VAL229, THR195, LEU332, VAL194 | |
| (F3) | −2.61 | Van der waal’s interactions only | |||
| (F4) | −2.17 | – | – | ASP201, PRO196, GLY200, VAL229, PRO132 | |
| (F5) | −3.03 | Van der waal’s interactions only | |||
| (F6) | −0.52 | – | – | THR134, PRO196, LEU133, VAL229,GLU132 | |
| (F7) | −3.01 | Van der waal’s interactions only | |||
| AG (standard) | −2.21 | GLY45B, | 1.23 | ASP201, PRO196, GLY200, VAL229, PRO132 | |
| Sorbitol dehydrogenase | (F1) | −4.78 | Van der waal’s interactions only | ||
| (F2) | −4.94 | – | – | CYS44B, GLY453, ILE56B, LEU274, SER46B,GLY672 | |
| (F3) | −3.84 | Van der waal’s interactions only | |||
| (F4) | −4.39 | – | – | ILE183,PRO182,GLY45B, CYS44A |
|
| (F5) | −4.84 | Van der waal’s interactions only | |||
| (F6) | −4.61 | – | – | PRO182 | |
| (F7) | −4.75 | Van der waal’s interactions only | |||
| Ascorbic acid | −3.98 | Van der waal’s interactions only | |||