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    IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors by Alexandra Cousido-Siah (777034)

    Published 2016
    “…Among the three compounds, only MK204 can make a strong halogen bond with the protein (−4.4 kcal/mol, using QM calculations), while presenting the lowest desolvation cost among all the series, translated into the most selective and inhibitory potency AKR1B10 (IC<sub>50</sub> = 80 nM). …”
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