In Silico Docking Studies of Phytochemicals from Oxalis Corniculata for Anti-Inflammatory Effects Targeting COX-4

Inflammation is a critical factor in numerous chronic diseases, and discovering effective anti-inflammatory agents is essential for advancing therapeutic options. Synthetic chemicals can be used to treat inflammatory disorders, but they pose one or more side effects. As a result, plant extracts and natural products are increasingly preferred as an alternative. This study investigated the anti-inflammatory potential of the medicinal plant Oxalis corniculata, using GC-MS analysis to identify relevant phytochemicals. In silico docking studies were performed with COX 4 and thirty ligands to evaluate their binding affinities and hydrogen bond interactions. Among these, five ligands-4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-(-6.1) [7]; 9-Octadecenal (Z) (-5.3) [7]; 9,12-Octadecadienoic acid (Z, Z) (-5.0) [7]; Arachidonic Acid (-5.1) [7]; and Tetradecanoic acid (-4.2) [7]—demonstrated low binding affinities but significant conventional hydrogen bonds with the receptor. ADMET analysis further highlighted 9-octadecenal (Z), 9,12-octadecadienoic acid (Z, Z), Arachidonic Acid, and Tetradecanoic acid as promising candidates for further research due to their favorable profiles. These compounds have potential as therapeutic agents for inflammatory diseases. Future studies should include in vivo research, toxicology assessments, and pre-clinical trials to validate their efficacy and safety.