Table 2.

Results of the docking of FDA-approved drugs and the interactions constructed on the crystal structure of PI3Kα (PDB ID: 2RD0).

Compound	Est. Free Energy of Binding kcal/mol	Est. Inhibition Constant, K (uM)	H-Bonding		Hydrophobic Interaction, Others
			Number	Residues from Cysteine Protease ATG4B Take Part in the Interaction	Number	Residues from Cysteine Protease ATG4B Take Part in the Interaction
TIC	−8.99	0.25799	0	-	1	HIS 670
CQ	−6.67	12.86	5	GLN 630, LEU 755, GLN 815 and ARG 818 (2)	4	ILE 633, PHE 666, LEU 814 and GLN 815
DOX	−7.45	3.48	7	ASP 626, HIS 670, LEU 755, MET 811, GLN 815, ARG 818 and CYS 838	3	GLN630, ASN 756, ARG 818 and ARG 818

Note: Salt Bridges residues represent through the Italic bold residue and π-Stacking (parallel) residues represent through the bold residue.