A Molecular Docking Approach of the Compound Beta-eudesmol as Potential Mitogen-Activated Protein Kinase 14 (MAPK 14) Inhibitor for Anti-inflammatory

The docking molecular study of Beta-eudesmol with MAPK14 for anti-inflammatory activity investigates the potential of Beta-eudesmol in inhibiting the activity of mitogen-activated protein kinase 14 (MAPK14), which is involved in inflammatory responses. Our investigation was conducted using MOE software. Following docking, the ligands were ranked by binding energy, and the molecule with the lowest binding energy was chosen as the best lead. The results revealed the presence of a hydrogen bond between the carbonyl functionalities of the residues (Met 109 and His 107), which compose the active site of MAPK14, and the Beta-eudesmol hydroxyl group. This research aims to explore the molecular interactions between Beta-eudesmol and MAPK14, and assess their potential role in alleviating inflammation.