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A green, solvent-free, one-pot synthesis of octahydroquinazolinone derivatives was achieved using ceric ammonium nitrate (CAN) loaded HY-zeolite as an efficient heterogeneous catalyst. This eco-friendly method provided high product yields under mild conditions with easy catalyst recovery and reusability. The synthesized compounds were screened for antibacterial and anti-inflammatory activities, showing promising biological potential. Molecular docking studies further supported the experimental results by revealing strong interactions between the compounds and key biological targets, indicating their potential as therapeutic agents.