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. 2020 Dec 21;6(1):606–614. doi: 10.1021/acsomega.0c05102

Table 1. Predicted Binding Energy of Docked Ligands with AKR1B1.

ligands ΔG (kcal/mol) ligands ΔG (kcal/mol)
(−)-kusunokinin –11.11 suggested potential ARIs  
carboxylic ARIs   oleanolic acid –10.90
zenarestat –11.54 AD5467 –10.84
zopolrestat –11.21 γ-mangostin –9.63
sulindac –11.19 arctiin –9.85
lidorestat –10.92 arctigenin –9.55
IDD1219 –10.86 10C –9.32
epalrestat –10.57 caffeic acid phenethyl ester –9.08
IDD740 –10.52 substrates  
IDD594 –9.83 Retinol –9.91
IDD552 –9.53 PGH2 –9.71
tolrestat –9.38 substrate analogs  
tolmetin –9.22 UVI2008 –10.71
alrestatin –8.92 PGA1 –10.01
hydantoin ARIs      
minalrestat –10.88    
ranirestat –10.41    
fidarestat –7.50    
sorbinil –6.92