molecular docking, synthesis, characterization and preliminary evaluation of some new 3-ethyl-1𝐻-indole derivatives as potential cox-2 inhibitors

Selective cyclooxygenase-2 inhibitors have gained prominence in anti-inflammatory drug development due to their potential to reduce inflammation while minimizing the gastrointestinal toxicity associated with non-selective nsaids. this study focuses on the synthesis, molecular docking, characterization, and evaluation of new 3-ethyl-1h-indole derivatives containing imidazolidinone pharmacophores as selective cox-2 inhibitors aimed at improving gi safety. molecular docking studies predicted strong binding affinities for the synthesized compounds, with scores ranging from -11.35 to -10.40 kcal/mol, significantly higher than the reference drug meloxicam (-6.89 kcal/mol). the compounds were structurally confirmed using ft-ir and ¹h-nmr spectroscopy. adme predictions further validated the drug-likeness and favorable pharmacokinetic profiles of the synthesized compounds. preliminary in vivo anti-inflammatory activity was assessed using an egg-white-induced paw edema model in rats, where the compounds significantly reduced inflammation compared to ibuprofen. compound iib demonstrated the highest efficacy, with a prolonged reduction in paw edema. these findings indicate that the newly synthesized indole derivatives have potential as selective cox-2 inhibitors with promising anti-inflammatory properties and improved gi safety. future studies will focus on further toxicity and enzymatic inhibition assays to fully characterize their safety and therapeutic potential.