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. 2021 Jan 3;9(1):6. doi: 10.1007/s40203-020-00066-7

Table 1.

Docking results of the ligands with P-gp

Compound Binding affinity (kcal/mol) RMSD/up RMSD/low
Tariquidar (control) − 10.1 12.785 6.095
Zosuquidar (control) − 9.6 8.196 3.376
Grossamide − 10.0 2.871 2.256
Cannabisin A − 10.1 1.357 0.712
Cannabisin B − 10.1 8.769 1.275
Cannabisin C − 10.1 3.422 2.63
Cannabisin D − 10.1 2.704 2.058
Cannabisin E − 8.9 13.803 8.097
Cannabisin F − 9.4 2.444 1.732
Cannabisin G − 9.2 1.913 1.422
Cannabisin M − 10.2 16.497 10.559
Cannabisin N − 10.2 9.245 5.246

RMSD root mean-square deviation is the measure of the average distance between the atoms