Design, synthesis, biological evaluation and in silico studies of novel pyrrolo[3,4-d]pyridazinone derivatives withpromising anti-inflammatory and antioxidant activity.

Bioorganic Chemistry(2020)

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摘要
•Rational design and synthesis of novel derivatives of pyrrolo[3,4-d]pyridazinone have been described.•All new derivatives inhibit both cyclooxygenase enzymes.•Comprehensive in vitro and in silico studies confirmed that the most potent is 7b.•Novel Mannich base derivatives prevent DNA strand breaks caused by an increase in intracellular ROS.•All new derivatives bind to the active site of the enzyme in a way very similar to meloxicam.
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关键词
Pyridazinone,Mannich bases,Molecular docking,Antioxidants,Anti-inflammatory agents,Cyclooxygenase inhibitors,1,3,4-Oxadiazole-2-thione
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