Table 2. Targeted residues in interaction and their docking score.
Name of the Derivative | MolDock Score | RMSD | Hbond | Interactions | Docking Score | Name Of the bond | Number of hydrogen bonds |
Quercetin | −86.6863 | 37.518 | −9.4567 | 14 | −94.8608 | UNK-O UNK-C | SER 251-O ASN 249-O GLU 311-O GLN 480-O ALA 433-O LEU 434-O ASP432-O ASP 425-O ARG 484-N GLN 480-O ILE 379-H ASP 474-O |
Beta-Carotene | −133.204 | 57.4964 | −149.249 | 0 | −130.601 | - | - |
Resveratol | −89.8886 | 37.1295 | −7.3495 | 7 | −95.4149 | UNK-O UNK-C | GLU 453-O ARG 484-N PRO 472-O ASP 474-O ARG 501-O |
Catechins | −88.3722 | 41.8008 | −7.2845 | 11 | −99.5567 | UNK-O UNK-C | GLN315-O GLU 453-O SER 477-O ARG 481-N ARG 484-N ASP 432-O HIS 313-O VAL 426-O |
Lycopene | −113.582 | 36.6534 | −136.284 | 0 | −109.635 | - | - |
Lutein | −120.047 | 42.4308 | −2.5461 | 3 | −119.747 | UNK-O | THR 226-O LEU 575-O SER 578-O |