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. 2022 Feb 4;22:35. doi: 10.1186/s12906-021-03488-8

Table 1.

Docking scores (kcal/mol) of curcumin, trans-resveratrol, quercetin and (1 s,4 s)-eucalyptol with protein 3ODU of CXCR4 receptor

Compound Score rmsd_refine E_conf E_place E_score1 E_refine E_score2
Curcumin − 7.71 2.79 −31.72 − 59.10 −10.67 −42.34 − 7.71
Trans-resveratrol −5.68 2.95 −44.35 −64.70 −10.42 −28.16 −5.68
Quercetin −5.97 1.37 4.83 −70.31 −12.61 −33.13 −5.97
(1 s,4 s)-Eucalyptol −4.88 1.26 −28.53 −37.41 −7.55 −15.62 −4.88