TABLE 7.

Pharmacophore Models 3, 4, 5, 6, 7, and corresponding graphic representations, pharmacophoric features, spatial coordinates and number of compounds retrieved in each virtual screening campaign using Molport database.

Graphic representation	Pharmacophoric features	Spatial coordinates				Number of compounds obtained
		x	y	z	R
Model 3
	Acc 3	15.205	−15.655	2.057	0.5	991
	Acc 4	16.838	−21.912	1.729	0.5
	Aro 1	19.831	−16.492	−1.023	1.1
	Aro 2	12.488	−16.602	−0.420	1.1
	Aro 3	16.316	−19.305	0.830	1.1
Model 4
	Acc 1	12.380	−15.578	2.204	0.5	129
	Acc 2	15.069	−16.653	−1.457	0.5
	Aro 1	19.831	−16.492	−1.023	1.1
	Aro 2	12.488	−16.602	−0.420	1.1
	Aro 3	16.316	−19.305	0.830	1.1
Model 5
	Acc 2	15.069	−16.653	−1.457	0.5	264
	Acc 4	16.838	−21.912	1.729	0.5
	Aro 1	19.831	−16.492	−1.023	1.1
	Aro 2	12.488	−16.602	−0.420	1.1
	Aro 3	16.316	−19.305	0.830	1.1
Model 6
	Acc 1	12.380	−15.578	2.204	0.5	217
	Acc 3	15.205	−15.655	2.057	0.5
	Aro 1	19.831	−16.492	−1.023	1.1
	Aro 2	12.488	−16.602	−0.420	1.1
	Aro 3	16.316	−19.305	0.830	1.1
Model 7
	Acc 1	12.380	−15.578	2.204	0.5	731
	Acc 4	16.838	−21.912	1.729	0.5
	Aro 1	19.831	−16.492	−1.023	1.1
	Aro 2	12.488	−16.602	−0.420	1.1
	Aro 3	16.316	−19.305	0.830	1.1
	Total					2332