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Table 2 Docking score of the top pose of all the synthesized compounds and reference drugs in the ALR1 & ALR2

From: Rhodanine-3-acetamide derivatives as aldose and aldehyde reductase inhibitors to treat diabetic complications: synthesis, biological evaluation, molecular docking and simulation studies

Codes

ALR1

ALR2

Docking score by FlexX for top pose (kcal mol‒1)

3a

−26.0700

−31.5855

3b

−28.4363

−24.3437

3c

−28.7833

−25.3824

3d

−24.6395

−23.4514

3e

−33.9628

−25.9504

3f

−30.1254

−30.1640

3g

−29.7386

−30.3788

Valproic acid

−18.5923

–

Sulindac

−

−24.3431