Table 4.

Docking Score and Emodel energy contributions, Pharmacophore-Fit score values, and distance from the heme ferric iron atom of the selected compounds and the known inhibitor R-econazole.

Compound	Docking Score (kcal·mol−1)	Emodel (kcal·mol−1)	Pharmacophore-Fit Score	Distance Fe3+(Å)
1	−8.98	−91.44	45.14	2.49
2	−7.85	−88.15	44.77	2.40
3	−8.37	−91.08	43.41	2.36
4	−7.55	−93.28	45.13	2.21
5	−7.88	−80.73	43.28	2.45
6	−10.32	−119.77	43.62	2.29
7	−9.80	−81.13	44.28	2.48
8	−8.42	−79.25	44.97	2.35
R-econazole	−7.56	−73.64	45.03	2.56