Table 4.

Lowest energies and the number of hydrogen and hydrophobic bond interactions of cardamonin, pinocembrin, and pinostrobin with P-glycoprotein (P-gp).

Ligands	Lowest Energy (kcal/mol)	No. of H-Bond	H-Bonds Interacting Residues	Bond distance (Å)	van der Waals Interacting Residues
Cardamonin	−9.78	4	Tyr303, Gln721, Ser725	3.17 2.82 and 3.25 2.96	Phe71, Phe332, Phe724, Phe728, Leu971, Phe974, Ser975, Val978
Pinocembrin	−10.64	2	Ser725, Ser975	2.90 3.06	Phe71, Phe332, Phe724, Phe728, Phe953, Leu971, Phe974, Val978
Pinostrobin	−10.37	2	Ser725,Ser975	2.89 3.03	Phe71, Phe332, Phe724, Phe728, Phe953, Leu971, Phe974, Val978