Table 3.

Docking scores (kcal/mol) and H-bond interactions between compounds and proteins PI3Kα (the wt and the mutant).

Compound	wt (2RD0)		H1047R mutant (3HHM)
	Docking score (kcal/mol)	Binding residues	Docking score (kcal/mol)	Binding residues
1	–9.0	Asp933	–7.4	Val851, Gln859
2	–11	Tyr836, Val851	–8.6	Val851, Asp933
3	–8.3	Glu849, Val851, Asp933	–10	Glu849,Val851,Asp933
4	–13	Lys776, Tyr836, Val851	–11	Met872, Val851, Asn853, Gln859
11	–11	Glu849, Val851, Gln859	–9.1	Val851
12	–9.8	Glu849	–10	Val851
13	–9.9	Lys802, Asp810, Glu849, Asp933	–8.7	Val851,Asp933