Table 2.
Docking interaction parameters for C-4-Hydroxyphenylcalix[4] resorcinarene (HPCR) against four selected proteins.
| Proteins | S (energy score) | RMSD_Refine* | Interacting amino acid | Type of interaction bond |
|---|---|---|---|---|
| 3RJ3 | -7.1127 | 1.0597 |
SER276 THR182 ARG122 |
H-acceptor pi-H H-acceptor |
| 7AXD | -6.1856 | 0.9183 |
LEU335 THR182 LYS331 |
H-donor pi-H Ionic |
| 6DUK | -7.3611 | 1.224 |
ARG803 ARG841 GLY874 |
H-acceptor Ionic H-acceptor |
| 1CGL | -5.6105 | 1.619 |
GLU247 ASP245 LYS136 LYS136 |
H-donor H-donor Ionic pi-H |
*RMSD_Refine: the root-mean-squared-deviation (RMSD) between the predicted pose and those of the crystal one (after and before refinement process, respectively).