Table 7.
Molecular docking results of Neo-1-4 with selected TLRs.
| Vaccine construct | Receptor | Name of target | Score (kcal/mol) | E-Conf | E-Place |
|---|---|---|---|---|---|
| Neo-1 | 2Z7X | TLR2 | -86.52 | -7275.00 | -19.84 |
| 2A0Z | TLR3 | -101.08 | -7271.54 | -25.89 | |
| 3FXI | TLR4 | -82.04 | -6219.70 | -20.79 | |
| 1AKJ | MHC-I | -85.43 | -7157.54 | -20.21 | |
| 3L6F | MHC-II | -83.97 | -6521.34 | -19.54 | |
| Neo-2 | 3FXI | TLR4 | -70.64 | -10124.58 | -32.51 |
| 2A0Z | TLR3 | -91.88 | -10116.98 | -26.57 | |
| 2Z7X | TLR2 | -78.13 | -8714.57 | -31.01 | |
| 1AKJ | MHC-I | -81.21 | -9324.76 | -23.56 | |
| 3L6F | MHC-II | -78.54 | -8731.90 | -28.54 | |
| Neo-3 | 3FXI | TLR4 | -68.93 | -14795.16 | -36.42 |
| 2A0Z | TLR3 | -81.01 | -14808.04 | -29.46 | |
| 2Z7X | TLR2 | -86.32 | -13277.29 | -32.06 | |
| 1AKJ | MHC-I | -76.52 | -13789.54 | -32.65 | |
| 3L6F | MHC-II | -83.90 | -14567.65 | -34.67 | |
| Neo-4 | 3FXI | TLR4 | -81.73 | -8482.36 | -30.68 |
| 2A0Z | TLR3 | -114.47 | -8515.66 | -35.05 | |
| 2Z7X | TLR2 | -79.56 | -7223.11 | -33.44 | |
| 1AKJ | MHC-I | -84.76 | -8675.12 | -32.67 | |
| 3L6F | MHC-II | -81.87 | -8234.65 | -31.89 |
E-Conf, Energy of Confirmation; E-Place, Energy of Placement.