repurposing nafithromycin for lung cancer therapy: targeting urokinase-type plasminogen activator (upa) via molecular docking and dynamics study

Lung cancer remains the leading cause of cancer-related deaths worldwide, demanding urgent advancements in early detection and targeted therapy. this study aimed to explore the potential of nafithromycin for treating lung cancer by targeting the urokinase-type plasminogen activator (upa), which is linked to tumor growth and metastasis. molecular docking revealed that nafithromycin had a higher binding affinity (-8.2 kcal/mol) than the native ligand (-6.9 kcal/mol). md simulations over 100 ns revealed the stable formation of the drug, which included strong hydrogen bonds with key residues, such as his55, gly228, and ser226. nafithromycin, like azithromycin and clarithromycin, can be combined with anticancer agents to increase their efficacy in lung cancer treatment. nafithromycin has the potential repurposed as an anticancer agent by targeting the upa system, supporting further research on lung cancer treatment.