Table 2.
The binding energies in kcal/mol for the models generated by CoDockPP for each compound less the antibody with the viral proteins important for cellular machinery. Top 1 is the model with the lowest binding energy (highest binding affinity) and the top 10 is the 10th model with the lowest binding energy. The lowest energy for the top 1 and top 10 models for each complex is in bold.
| Key Proteins | Mpro | Plpro | RdRp | E Protein | ||||
|---|---|---|---|---|---|---|---|---|
| Top 1 | Top 10 | Top 1 | Top 10 | Top 1 | Top 10 | Top 1 | Top 10 | |
| Compounds | ||||||||
| GRFT | −228 | −198 | −234 | −209 | −267 | −248 | −258 | −242 |
| RTAM-PAP1 | −301 | −266 | −276 | −259 | −332 | −301 | −363 | −306 |
| RTA | −299 | −260 | −283 | −254 | −304 | −277 | −314 | −281 |
| PAP1 | −246 | −207 | −225 | −188 | −244 | −228 | −244 | −229 |