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Docking interaction of curcumin, trans-resveratrol, quercetin and (1 s,4 s)-eucalyptol with protein 3ODU of CXCR4 receptor
| Compound | Ligand | Receptor | Interaction | Distance (Å) | E (Kcal/Mol) |
|---|---|---|---|---|---|
| Curcumin | O 1 | NH1 ARG 188 (A) | H-acceptor | 3.21 | −2.40 |
| O 27 | NH2 ARG 188 (A) | H-acceptor | 3.13 | −0.50 | |
| 6-ring | 5-ring HIS 113 (A) | pi-pi | 3.88 | 0.00 | |
| Trans-resveratrol | 6-ring | CA ILE 204 (A) | pi-H | 4.33 | −0.80 |
| Quercetin | 6-ring | CA ILE 204 (A) | pi-H | 4.39 | −0.80 |
| (1 s,4 s)-eucalyptol | 5-ring | HIS 113 (A) | H-pi | 4.08 | −0.70 |
