TABLE 3.

Docking score, with H- and non-H-bonding interactions against different targets.

Binding free energy ΔG (kcal/mol)	Pose no.	H-bond	H-bond interaction residue	Neighbor interacting residue
1IK3
−5.9	1	0	0	Gly720, Gln716, Ille770, Val372, Ser510, Thr728, Arg726, Phe576, and His513
2R4R
−5.4	1	0	0	Ala57, Phe332, Val54, Leu64, Ile72, and Asn69
5KIR
−4.4	1	0	0	Phe187, Asp393, Gln429, Pro392, and Thr394
3UA9
−5.7	1	0	0	Asp147, Trp133, His54, Cys217, Ser55, Gln214, Val143, and Ile144
3RZE
−5.3	1	0	0	Arg127, Tyr65, Asp124, Ile123, Thr147, Tyr138, and Arg143
5C1M
−5.0	1	0	0	Asp147, Trp133, His54, Cys217, Ser55, Gln124, Val143, and Ile144