Table 5.

Interactions of the Native Ligand, Brazilein, and Brazilin on PI3KΔ Protein

Compound	Parameter	PI3KΔ (PDB ID: 4GB9)
Native ligand (benzimidazole)	Docking Score (kcal/mol)	-14.21
	RMSD (Å)	1.066
	Ligand Atom	N	O	C	C	H
	Amino Acid	Lys830	Ile881	Ile963	Ile879	Trp812
	Binding Type	H-bond	H-bond	Arene-H	Arene-H	Arene-H
	Distance	1.77	2.79
Brazilein	Docking Score (kcal/mol)	-9.76
	RMSD (Å)	2.01
	Ligand Atom	H	C	C	H
	Amino Acid	Ile963	Ile963	Ile963	Tyr867
	Binding Type	H-bond	H-bond	Arene-Arene	Arene-H
	Distance	1.97	3.2
Brazilin	Docking Score (kcal/mol)	-11.16
	RMSD (Å)	2
	Ligand Atom	H	C
	Amino Acid	Lys830	Ile963
	Binding Type	H-bond	Arene-H
	Distance	2.05