Table 1.
Type of interaction and interaction distance between Gallic acid on Neurotoxic proteins.
| S.No | Protein Name | PyRx Kcal/mol | Type of interaction with residue (Interaction Distance) |
|---|---|---|---|
| 1 | Bax | −5.6 | Hydrogen bonding ASPA: 53 (2.25 Å), SER A: 55 (2.49 Å), THR A :56 (2.68 Å), TRP A: 158 (2.73 Å), PRO A: 13 (2.93 Å) |
| 2 | Tumor necrosis factor α | −5.6 |
Hydrogen bonding GLU A: 149 (1.85 Å), VAL A: 150 (1.52 Å), GLY A: 148 (1.62 Å), ALA A: 18 (2.63 Å) Pi alkyl bonding ARG A: 32 (3.62 Å) Pi sigma bonding VAL A: 17 (4.26 Å) |
| 3 | Caspases 3 | −5.5 |
Hydrogen bonding THR A: 77 (1.91 Å), ASP B: 228 (1.86 Å), LYS B: 224 (2.64 Å) Pi Alkyl bonding ALA B: 227 (3.36 Å), LEU A: 81 (4.50 Å) |
| 4 | Nitric oxide synthase | −6.7 |
Hydrogen bonding PHE B: 709 (1.88 Å), ARG B: 704 (1.90 Å), SER B :418 (2.23 Å) Pi sigma bonding ALA B: 417 (2.67 Å) Pi alkyl bonding ARG B: 419 (4.38 Å) Pi Pi T Shaped HIS B: 346 (4.05 Å) |
| 5 | Interleukin 6 | −5.9 |
Hydrogen bonding SER A: 107 (1.89 Å), GLU A: 42 (2.90 Å), ARG A: 104 (2.45 Å), ASP A: 160 (2.23 Å) Pi alkyl bonding PHE A: 105 (4.89 Å) |
| 6 | Glutamate receptors | −5.8 |
Hydrogen bonding ARG A: 506 (1.80 Å), THR A: 501 (2.91 Å), PRO A :499 (2.29 Å) Pi Anion bonding GLU A :726 (3.16 Å) Pi Pi Stacked TYR A : 471 (4.15 Å) |
| 7 | Acid sensing ion channel | −6.7 | Hydrogen bonding GLN C: 279 (2.03 Å), ARG C: 370 (2.15 Å), ARG B: 370 (2.23 Å), GLY N A: 277 (2.62 Å), GLU A: 417 (2.764 Å), GLU B: 47 (2.95 Å) |