Said, Mona FGeorge, Riham FFayed, WalidSoliman, Ahmed A FRefaey, Rana H2024-02-152024-02-152024-01https://doi.org/10.4155/fmc-2023-0302http://repository.msa.edu.eg/xmlui/handle/123456789/5845Background: The search is ongoing for ideal anti-inflammatory and analgesic agents with promising potency and reasonable selectivity. Methods: New N1-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. Results: All compounds exhibited anti-inflammatory activity up to 90.40% inhibition. They also exhibited good analgesic activity with up to 100% protection. N1-benzensulfonamides 3d, 6c and 6h were preferentially selective agents toward COX-2. Compound 3d 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.enCOX-inhibitor; analgesic; anti-inflammatory; antitumor; molecular dynamics; substituted pyrazole.Articlehttps://doi.org/10.4155/fmc-2023-0302