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

Figure 3.

Figure 3

(−)-Kusunokinin and ARI interaction with AKR1B1. Interaction of ARIs include epalrestat (orange), zenarestat (blue), minalrestat (red), and (−)-kusunokinin (lime green). Tyr48 and His110 bound ligands using hydrogen bonds, while Trp20 and Trp111 were mainly responsible for π–π interactions. The π–π interactions are shown as black dashed lines, and the hydrogen bonds are shown as red dashed lines.