article · Future Medicinal Chemistry
<b>Background:</b> The search is ongoing for ideal anti-inflammatory and analgesic agents with promising potency and reasonable selectivity. <b>Methods:</b> New <i>N<sup>1</sup></i>-substituted pyrazoles with or without an acetamide linkage were synthesized and evaluated for their anti-inflammatory and analgesic activities. COX inhibitory testing, molecular docking, molecular dynamics simulation and antiproliferative activity assessments were performed. <b>Results:</b> All compounds exhibited anti-inflammatory activity up to 90.40% inhibition. They also exhibited good analgesic activity with up to 100% protection. <i>N<sup>1</sup></i>-benzensulfonamides <b>3d</b>, <b>6c</b> and <b>6h</b> were preferentially selective agents toward COX-2. Compound <b>3d</b> showed good cytotoxicity against MCF-7 and HTC116 cancer cell lines. Molecular modeling studies predicted the binding pattern of the most active compounds. Molecular dynamics confirmed the docking results. All compounds showed remarkable pharmacokinetic properties.
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DOI: 10.4155/fmc-2023-0302
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