Table 3.

Hits selected for biological validation: Docking scores, fit values and APN inhibition at 60 μmol/L concentration.

Hits	Structure	Docking score (kal/mol)	Pharmacophore (fit value)		% Inhibition
			A	B
1		−15.9568	3.4792		56%
2		−17.5095		4.9429	71%
3		−17.7841		4.9586	89%
4		−15.8006	3.1543		<50
5		−15.2629	3.1351		<50
6		−15.2066	3.0792		<50
Bestatin					75%