Table 2.

Molecular docking interaction parameters of compounds with the EGFR 4HJO protein

Compound	Binding energy (kcal/mol)	Inhibition constant (µM)/Nm	No. of hydrogen bonds	Residues involved in hydrogen bonding (bond length in A0)
Garuganin 1	− 7.47	3.34 µM	1	ALA847 (2.12),
Garuganin 3	− 8.22	944.20 nM	4	MET769(1.71), MET769(2.11), ASN818(2.23), ASP831(2.06)
Garuganin 4	− 7.71	2.23 µM	1	PHE699(2.45)
Garuganin 5	− 8.49	594.91 nM	3	ALA698(1.82), ARG817(2.19) LYS851(1.65)
Cyclophosphamide	− 6.61	14.29 µM	2	PHE 832 (1.99)