Abstract: AIM To theoretically explore the mechanism of action of 5,6-diaryl-2,3-dihydro-1-pyrrolizinone derivatives. METHODS The interactions of the compound ZZ-122 with cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) were modeled by docking method. RESULTS According to the binding pattern, intermolecular energy and capacity to form H bond, it was easy for ZZ-122 to bind to COX-2 and not easy to COX-1. CONCLUSION Compound ZZ-122 may be a selective COX-2 inhibitor, which has to be confirmed by experiment.