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Updated: Sep 27, 2026

Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
[Studied on docking of 5,6-diaryl-2,3-dihydro-1-pyrrolizinone derivatives with cyclooxygenase]
1Shenyang Pharmaceutical University, Shenyang 110015, China. zhaolq-98@yahoo.com.cn
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.
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