Synthesis, Molecular Docking Evaluation of Du...

Synthesis, Molecular Docking Evaluation of Dual Target Cox-2/ 5-Lox Inhibitors and Determination of In-Vivo Anti-Inflammatory Potentials of Pyrazol-5-One Derivatives

Author Name : Akshata Chitnis, Pallavi Salve, Vasant Lokhande

ABSTRACT The immune system initiates inflammation in response to harmful stimuli such as infections or cellular damage, serving as a vital defense mechanism. While acute inflammation promotes healing, uncontrolled inflammation can lead to chronic diseases. This research focuses on synthesizing and evaluating 4-arylidene-3-alkyl-1-phenyl-5- pyrazolone derivatives as potential anti-inflammatory agents. Using a two-step synthesis involving Knoevenagel condensation and microwave-assisted techniques, we characterized the derivatives through spectroscopic analysis and conducted molecular docking studies to assess their binding to COX-2 and 5-LOX receptors. In vivo antiinflammatory activity was evaluated using the carrageenan-induced rat paw edema model, with selected compounds demonstrating moderate to superior efficacy compared to diclofenac sodium (10 mg/kg). Notably, Compound 2 exhibited particularly promising results. These findings indicate that pyrazolone derivatives may effectively inhibit inflammatory mediators, paving the way for the development of safer, more effective nonsteroidal antiinflammatory drugs (NSAIDs).