The molecular modeling studies were carried out using Molecular Operating Environment (MOE, 2019.0102) software. The X-ray crystallographic structure of Hexokinase-2 complexed with the reference compound [2-amido-6-benzenesulfonamide glucosamine derivative (PDB ID: 5HFU)] was downloaded from the protein data bank (https://www.rcsb.org/structure/5HFU). All the tested compounds were compared to the reference compound.
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