Table 4 Predicted docking energies of target proteins with selected peptides
From: Computational design of anti-cancer peptides tailored to target specific tumor markers
Target | Peptide | Peptide | Docking energies and poses | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
Receptor | Label | Sequence | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | FBE |
CXCR | C9 | HPKFELY | − 8.4 | − 8.2 | − 8.1 | − 8 | − 8 | − 8 | − 7.8 | − 7.5 | − 7.3 | − 8.4 |
|  | C7 | HPKFEWL | − 8.3 | − 8 | − 7.9 | − 7.9 | − 7.8 | − 7.7 | − | − | − 7.5 | − 8.3 |
|  | C5 | HPKFEWR | − 8.1 | − 8.1 | − 8.1 | − 7.9 | − 7.8 | − 7.6 | − | − | − 7.1 | − 8.1 |
|  | C1 | FHPKELY | − 8.1 | − 8.1 | − 8 | − 7.8 | − 7.7 | − 7.7 | − 7.7 | − 7.6 | − 7.6 | − 8.1 |
|  | C26 | HPKF | − 4.7 | − 4.3 | − 4.2 | − 4.2 | − 4.2 | − 4.1 | − 4 | − 3.9 | − 3.7 | − 4.7 |
DcR3 | D6 | ADSYPQP | − 7.2 | − 6.3 | − 6.1 | − 6.1 | − 6 | − 6 | − 6 | − 6 | − 5.9 | − 7.2 |
|  | D18 | AFSYPFP | − 7.2 | − 7.1 | − 7.1 | − 6.9 | − 6.8 | − 6.8 | − 6.8 | − 6.7 | − 6.7 | − 7.2 |
|  | D8 | TDSYPAP | − 6.7 | − 6.7 | − 6.5 | − 6.5 | − 6.4 | − 6.4 | − 6.4 | − 6.3 | − 6.3 | − 6.7 |
|  | D2 | ADSYPEP | − 6.4 | − 6.2 | − 6 | − 5.9 | − 5.9 | − 5.9 | − 5.9 | − 5.8 | − 5.8 | − 6.4 |
|  | D12 | TDSYPFP | − 5.8 | − 5.7 | − 5.6 | − 5.6 | − 5.6 | − 5.6 | − 5.6 | − 5.5 | − 5.5 | − 6.8 |
OPG | P10 | HDQDATYF | − 6.6 | − 6.5 | − 6.3 | − 6.2 | − 6.2 | − 6.1 | − 6.1 | − 6.1 | − 6 | − 6.6 |
|  | P5 | KTSIKIPS | − 6.6 | − 6.1 | − 6.1 | − 6 | − 6 | − 6 | − 5.9 | − 5.9 | − 5.9 | − 6.6 |
|  | P16 | PDQDATYP | − 6.8 | − 6.3 | − 6.3 | − 6.3 | − 6.2 | − 6.1 | − 6.1 | − 6.1 | − 6 | − 6.8 |
|  | P19 | PDTYPQDP | − 6.9 | − 6.8 | − 6.8 | − 6.8 | − 6.6 | − 6.6 | − 6.5 | − 6.5 | − 6.4 | − 6.9 |
|  | P8 | CDQDATYF | − 6.5 | − 6.4 | − 6.2 | − 6.1 | − 6.1 | − 6 | − 6 | − 6 | − 5.9 | − 6.5 |