TABLE 3.

Binding affinities of the substituted quinazolin-4(3H)-one motifs in the active sites of antifungal protein targets.

Sample code	C. albicans (1IYL) {kcal/mol}	A. niger (3K4Q) {kcal/mol}	A. flavus (4YNT) {kcal/mol}	R. nigricans (AFA0A367KUY9) {kcal/mol}
3a	−9.4	−7.0	−9.2	−7.6
3b	−9.6	−6.9	−9.9	−7.9
3c	−9.7	−7.2	−9.6	−7.8
3d	−9.3	−6.5	−8.7	−7.4
3e	−9.3	−6.9	−9.1	−7.6
3f	−9.2	−6.7	−9.3	−7.4
3g	−8.7	−6.6	−7.4	−7.5
3h	−9.5	−7.2	−9.4	−7.6
3i	−9.5	−6.6	−9.5	−7.6
3j	−9.1	−6.9	−9.1	−7.3
3k	−9.1	−6.3	−9.0	−7.3
3l	−9.1	−6.8	−9.4	−7.3
3m	−7.9	−5.6	−7.8	−6.4
Ketoconazole	−9.9	−7.3	−8.7	−8.9
Control ligand	R64 (−9.6)	IHS (−6.5)	FDA (−10.9)	NONE

R64 (1-methyl-1h-imidazole-2-yl)-(3-methyl-4-{3-[(pyridin-3-ylmethyl)-amino]-propoxy}-benzofuran-2-yl)-methanone; HIS: D-myo-inositol-hexasulphate; FDA: dihydroflavine-adenine dinucleotide.