Table 3.

Results of the docking study of the compounds.

Compound	Binding Energy	Hydrogen Bonds	Hydrophobic Bonds
6a	−41.69	LEU412-O=C	ALA343, GLY344, LEU412, MET415, PHE499, GLY508 and ALA512
6b	−49.33	LEU412-O=C	ALA343, THR347, MET415, GLY500 and HIS504
6c	−57.85	CYS506-O-CH2	LEU412, SER414, MET415, CYC506, ILE507 and GLY508
6d	−45.23	CYS506-O-CH2	ALA343, LEU412, MET415, CYC506, ILE507 and GLY508
6e	−35.50	LEU412-O=C; GLY500-N of nitro and GLY500-O-N of NO2	ALA343, LEU412, ILE507 and GLY508
6f	−65.25	CYS506-NH	ALA343, THR347, MET415, PHE499, HIS504, CYC506, GLY508, GLU509, ALA512 and TYR513
6g	−52.37	LEU412-O=C	THR347, LEU412, MET415, PHE499 and HIS504
6h	−47.18	VAL497 and GLY500-N of NO2	ALA343, GLY344, PHE499, GLY500 and GLY508
6i	−61.03	TYR154-O-N of 2-nitro; TYR168- O=C and MET415-N of 4-nitro	LEU340 and ALA343
6j	−40.29	LEU412-O-CH2	ALA343, GLY344, LEU412, MET415, PHE499, GLY508 and ALA512
6k	−37.85	-	ALA343, GLY344, THR347, PHE499, GLY500 and GLY508
6l	−42.91	-	LEU186, LEU240, GLY344, THR347, MET415, PHE499, GLY500, CYS506, GLY508 and PHE511
6m	−36.83	-	ALA343, LEU412 and PHE499
6n	−40.09	CYS506-O-CH2	ALA343, VAL440, PRO442, VAL497, GLY500 and CYC506
6o	−38.97	TYR168-O=C	LEU340, ALA343, ILE507 and GLY508
Fluconazole	−67.29	TYR168-F of phenyl	GLY500 and HIS504