Design, synthesis, and enzyme kinetic evaluation of oxadiazole derivatives as nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitors: an integrated in vitro and in silico approach

Key Points

• Identify small heterocyclic inhibitors targeting ecto-NTPDases involved in cancer progression and purinergic signaling.
• Integrated in vitro and in silico approaches
• Enzyme kinetic evaluation of synthesized oxadiazole derivatives
• Assessment of their inhibitory effects on NTPDase activity.
• Synthesis of multiple oxadiazole derivatives demonstrated potential as NTPDase inhibitors.
• Inhibition assays indicated enhanced understanding of ecto-NTPDase roles in cancer progression.
• Purinergic signaling pathways were impacted by these newly synthesized compounds.