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. 2017 Jul 25;22(8):1246. doi: 10.3390/molecules22081246

Table 3.

The CDOCKER analysis of verapamil, epirubicin, Rho123, and DL0410 at the DBP site of P-gp.

Compound -CDCOKER ENERGY -CDCOKER INTERACTION_ENENGY
Verapamil 7.396 37.663
Epirubicin 13.898 39.036
Rho123 26.988 30.668
Dl0410 5.500 36.275
Rho123(in the presence of DL0410) 11.324 24.717
Dl0410(in the presence of Rho123) 12.830 45.560
Dl0410(in the presence of verapamil) - -