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Substituted SOX (4a) is a potent inhibitor of human CD44 (PDB ID: 1UUH). (A) Binding pattern of the substituted SOX (4a) against human CD44 (∆G: −6.65 Kcal/mol); (B) Binding pattern of doxorubicin against human CD44 (∆G: −5.83 Kcal/mol). Subpanels (a) represent the interaction of 4a and doxorubicin inside the active pocket of the target protein (represented as a red surface). Subpanels (b) show the 2D image of the interacting residues of the CD44 with our drugs.
