TABLE 2.

Calculated parameters obtained from docking of different benzimidazole drugs and NZO in the binding pockets within subunit B and D of Tubulin protein.

Phys. Prop.	S (subunit B)	S (subunit D)	rmsd_refine	E_conf	E_refine
NZO (docked)	−7.34	—	0.95	0.64	−26.68
	—	−7.04	2.07	−7.66	−27.13
Mebendazole	−7.36	—	1.54	−21.83	−37.08
	—	−7.28	1.40	−20.16	−37.04
Albendazole	−7.23	—	0.97	−53.87	−36.45
	—	−6.86	1.06	−40.74	−30.12
Ciclobendazole	−6.94	—	0.90	62.46	−35.58
	—	−6.78	1.40	63.16	−32.88
Fenbendazole	−7.09	—	1.71	−47.42	−37.47
	—	−7.39	1.22	−46.84	−37.31
Flubendazole	−7.36	—	1.19	−18.75	−36.26
	—	−7.25	1.38	−3.47	−34.07
Oxibendazole	−7.36	—	1.12	−52.05	−38.65
	—	−6.86	1.82	−40.80	−29.96
Oxfendazole	−7.31	—	2.47	−28.07	−38.11
	—	−7.55	2.03	−27.11	−38.19
Thiabendazole	−4.59	—	1.81	43.97	−8.75
	—	−4.68	0.23	39.50	−11.37
Bendazole	−5.44	—	1.12	39.08	−12.60
	—	−5.03	1.60	43.80	−6.76

S, the score of placement of a compound into the binding pocket of protein; rmsd_refine, the root-mean-squared-deviation (RMSD) between the heavy atoms of the predicted pose (after refinement) and those of the crystal structure (before refinement); E_conf, conformer energy in kcal/mol; E_refine, the score of refinement step of ligand conformer.