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

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

Compound ID Structure 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