Table 8.

Molecular docking calculation of the title compounds with various proteins.

Protein Name	Code	Interaction energy Etot(kcal/mol)	EH-bond	EVDW	EElect	Residues	Bond length	Interaction category
COX-2	3LN1	−81.44	−66.34	−9.98	−5.12	C:HIS:374	3.68	H-bond
						C:TRP:373	4.07	H-bond
						C:HIS:193	3.61	Hydrophobic
						C:HIS:372	5.31	Hydrophobic
							2.95	Other
						C:ALA:188	4.78	Hydrophobic
Human immunodeficiency virus type 1	1DLO	−79.33	−69.65	−7.75	−1.93	A-LYS-223	2.87	H-bond
						A-TYR-318	3.97	H-bond
							3.87
						A-TYR-118	3.55	H-bond
						A-HIS-235	4.46	Hydrophobic
						A-VAL-106	3.68	Hydrophobic
						A-PRO-225	3.44	H-Bond
5-LOX	3V92	−72.48	−61.86	−10.62	0	A:ALA:404	3.00	H-bond
						A:ALA:405	2.86	H-bond
						A:PHE:402	3.03	H-bond
						A:ARG:401	3.93	Hydrophobic
							4.59	Hydrophobic
						A:ILE:167	5.23	Hydrophobic
Feline leukemia virus	1LCS	−71.84	−53.46	−15.58	−2.8	A-ARG-87	2.93	H-Bond
							2.61
							3.52
						A-CYS-90	5.76	Other
						A-GLY-91	3.08	Other
						A-ALA-85	5.43	Hydrophobic
Bat SARS-like coronavirus	6UL7	−68.37	−53.31	−15.06	0	A-THR-111	2.60	H-bond
							3.09
						A-THR-111	3.10	H-bond
Friend murine leukemia virus	1AOL	−67.84	−56.61	−13	−1.78	A-ASP-21	3.09	H-Bond
						A-LEU-48	2.02	H-Bond
						A-GLY-20	3.70	H-Bond
						A-THR-221	3.81	Hydrophobic
							3.77	H-Bond
						A-PRO-53	4.23	Hydrophobic
							4.37	Hydrophobic