Design, synthesis, in vitro, and in silico evaluation of multi-functionalized pyrimidines as potential multitarget-directed anti-inflammatory agents. (PubMed, Bioorg Chem) - Mar 11, 2026 - "In this study, a library of pyrimidine derivatives (5a-c, 6, 7a-n) was designed, synthesized, and examined for their in vitro potential to inhibit the activities of COX-1 and COX-2, with comparisons made to the well-known COX inhibitors celecoxib and diclofenac sodium...Compound 6 demonstrated enhanced 5-LOX inhibitory activity (IC50 = 0.235 μM) compared to the reference zileuton (IC50 = 0.334 μM)...A molecular docking study explored the binding interactions between newly synthesized inhibitors and the active sites of COX-2 and 5-LOX. Additionally, various online tools were utilized to assess the pharmacokinetics, drug likeness, and toxicity of the most active compounds."
Journal • Preclinical • IL6
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Amany M Ghanim; Asmaa Essam; Hanan A Abdel-Fattah; Moataz A Shaldam; Nermine A Osman
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