Table 5.
MoldockScore scores for the top ten lignans with the best energy values relative to the energy value of the crystallographic ligand for each protein.
| ID | JNK-3 | PTP1B | NQO1 | PDE5 | COX2 | iNOS |
|---|---|---|---|---|---|---|
| 1 | -183 | -177 | -137 | -204 | -203 | -178 |
| 2 | -175 | -156 | -137 | -192 | -193 | -153 |
| 3 | -164 | -154 | -136 | -182 | -191 | -147 |
| 4 | -159 | -153 | -124 | -169 | -190 | -144 |
| 5 | -155 | -153 | -120 | -167 | -187 | -143 |
| 6 | -148 | -152 | -116 | -166 | -176 | -143 |
| 7 | -148 | -152 | -116 | -164 | -175 | -143 |
| 8 | -146 | -151 | -114 | -164 | -174 | -141 |
| 9 | -146 | -151 | -112 | -164 | -172 | -139 |
| 10 | -144 | -150 | -108 | -162 | -170 | -139 |
| Ligand PDB | -134 | -156 | -36 | -139 | -142 | -59 |