Table 2.

The molecular docking scores of the investigated compounds 4a–e.

Compd.	Docking score (kcal/mol)	Interaction	Distance	E (kcal/mol)
ERB-041	− 6.4434
4a	− 5.9949	pi-H LYS 68	3.59	− 0.7
		pi-H ILE 174	4.06	− 0.9
4b	− 6.6210	H-donor MET 163	3.69	− 0.5
		H-acceptor ASP 175	3.25	− 0.5
		H-acceptor LYS 68	3.1	− 0.5
		H-pi PHE 113	3.59	− 0.5
		pi-H ILE 174	3.86	− 1.6
4c	− 6.8687	H-acceptor LYS 68	2.91	− 3.8
4d	− 6.4305	H-acceptor TRP 176	3.74	− 0.8
		pi-H ILE 174	4.15	− 0.7
4e	− 6.131	H-acceptor LYS 68	3.43	− 0.9
		pi-H VAL 53	3.8	− 0.8