Table 7. Comparative docking energies (AutoDock & FlexiDock) of antifungal drugs and their interaction with the active site.

PDB ID	Inhibitors	Docking energy AutoDock (Kcal/mol)	Docking energy FlexiDock (Kcal/mol)	Active site residues
1FI4	Wortmannin	−7.69	−697.214	Ser 258
	Voriconazole	−5.73	−505.913	Ala 303
	Nikkomycin	−6.27	−498.682	Arg 96
	Pyriobenzimidazole	−10.24	−712.429	Ser 382
1S4N	Wortmannin	−8.99	−358.968	Ser 358
	Voriconazole	−9.20	−412.359	Ala 303, Asp205
	Nikkomycin	−8.92	−406.322	Arg 96, Cys 93
	Pyriobenzimidazole	−22.36	−908.254	Ser 382, Asp 383
3A58	Wortmannin	−6.70	−294.647	Asp 214, Val 78
	Voriconazole	−6.34	−532.144	Asp 34,Val 78
	Nikkomycin	−5.89	−438.214	Asp 214,Ser 218
	Pyriobenzimidazole	−8.41	−798.385	Asp 383, Asp 383