Abstract
In a search for novel molecules to treat inflammatory disorders, we identified several compounds with inhibitory action against the IKK2 enzyme using in silico methods. Based on the virtual hit of compounds 1 and 2, a novel series of 2‐phenylimino‐5((5‐phenylfuran‐2‐yl)methylene)thiazolidin‐4‐one derivatives was designed, synthesized, and evaluated for IKK2 inhibitory activity. Among the synthesized derivatives, compounds 17f and 19f showed good IKK2 inhibitory potency, which have 4‐carboxaminophenyl on the 2‐furan ring and a methoxy group on the phenylimino moiety at the 2‐position of the core structure. The most potent compound was 2‐(2,4‐dimethoxyphenyl)imino‐5((5(4‐carboxaminophenyl)furan‐2‐yl)methylene)thiazolidin‐4‐one (19f, IC50 = 0.94 μM), which represents a synergic effect of the two virtual hit compounds against IKK2. We also identified compounds showing inhibitory activities against interleukin (IL)‐17, CCK‐8, and tumor necrosis factor‐alpha (TNF‐α), which are NF‐κB‐dependent pro‐inflammatory cytokine mediators.
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