Wound healing activities and molecular docking on integrin α5β1 studies of 2-(4-tert-butylphenyl)-5-nitrobenzoxazole

Objectives: This study investigates the wound-healing potential of a 2-(4-tert-butylphenyl)-5-nitrobenzoxazole derivative, previously synthesized and identi fied as an inhibitor of Topoisomerase I and II, on wound healing. Material and Methods: For the wound healing assay, the compound was applied to the human keratinocyte (HaCaT) cells at final concentrations of 100 μM (A1), 10 μM (A2), and 1 μM (A3), and the wound healing process was subsequently monitored. Since integrin α5β1 plays a crucial role in wound healing by mediating keratinocyte adhesion and migration, the interactions of the compound with integrin α5β1 were further evaluated by molecular docking. Results: Our findings demonstrate that the 2-(4- tert -butylphenyl)-5 -nitrobenzoxazole exhibits dose- and time- dependent effects, promoting wound closure at low doses while inhibiting cell migration at high doses. Molecular docking studies focusing on integrin α5β1 indicated a stronger binding affinity for the open conformation, suggesting that interactions with this conformation of integrin α5β1 may contribute to the observed wound-healing effects. Conclusion: These findings provide new insights into the potential application of benzoxazole derivatives in wound healing and emphasize the necessity of further research in this area. This pilot study is expected to pave the way for future investigations into the therapeutic potential of benzoxazole derivatives.