Table 4.

Interactions of the Native Ligand, Brazilein, and Brazilin on PI3Kα Protein

Compound	Parameter	PI3Kα (PDB ID: 3T8M)
Native ligand (3T8)	Docking Score (kcal/mol)	−14.69
	RMSD (Å)	1.315
	Ligand Atom	O	O	H	H	C	C
	Amino Acid	Ser806	Val882	Val882	Tyr867	Ile963	Met963
	Binding Type	H-bond	H-bond	H-bond	Arene-H	Arene-H	Arene-H
	Distance	1.52	2.04	1.69
Brazilein	Docking Score (kcal/mol)	−9.78
	RMSD (Å)	0.879
	Ligand Atom	H	C
	Amino Acid	Glu880	Ile963
	Binding Type	H-bond	Arene-H
	Distance	1.8
Brazilin	Docking Score (kcal/mol)	−10.02
	RMSD (Å)	1.07
	Ligand Atom	H
	Amino Acid	Tyr867
	Binding Type	Arene-H
	Distance