Table 2.

List of binding energy (B.E.) and inhibition constant (Ki) of synthesized compounds and co-crystalized ligand(Co-lig)/OS as calculated using molecular docking.

Ligands	4CJN		1CEF		3TI6
	B.E. (kcal/mol)	Ki (μM)	B.E. (kcal/mol)	Ki (μM)	B.E. (kcal/mol)	Ki (μM)
SGC	−9.54	0.10	−8.18	1.00	−7.07	6.59
SCM	−8.97	0.26	−7.69	2.32	−7.64	2.50
COX	−8.68	0.43	−6.59	14.75	−7.72	2.21
SPh	−6.75	11.33	−6.52	16.55	−5.3	52
ISO	−8.54	0.54	−6.67	12.83	−5.70	66.68
STF	−8.00	1.36	−4.44	559.93	−6.41	19.92
Co-lig	−8.94	0.28	−7.06	6.72	–	–
OS	–	–	–	–	−7.78	1.98