Aldose reductase from Schistosoma japonicum: crystallization and structure-based inhibitor screening for discovering antischistosomal lead compounds

Table 2 The finally obtained 10 candidate compounds analyzed with AutoDock 4.2

Compound ID	Binding free energy (kCal/mol)		Sj AR-*Hsa* AR (kCal/mol)
	Sj AR	*Hsa* AR
AR1	−13.56	−11.42	2.14
AR2	−13.80	−10.61	3.19
AR3	−12.77	−10.47	2.30
AR4	−10.09	−6.09	4.00
AR5	−11.59	−9.52	2.07
AR6	−9.31	−7.00	2.31
AR7	−9.05	−6.34	2.71
AR8	−13.47	−10.99	2.48
AR9	−10.08	−8.07	2.01
AR10	−9.15	−3.78	5.37

ISSN: 1756-3305