EMİNE ERDAG, DİLAN KIRMIZI, UMUT AKSOY, AHMET OZER SEHIRLI
Acta Pharmaceutica Sciencia - 2025;63(1):178-191
Activation of the α7 nicotinic acetylcholine receptor, an important part of the cholinergic anti-inflammatory pathway, is considered a target macromolecule in the treatment of many inflammatory disorders. However, there are no molecular studies on the use of α7 nicotinic receptor agonists in apical periodontitis. In this study, we identified some α7 nicotinic acetylcholine receptor agonists that have been previously investigated for use mainly in diseases affecting the central nervous system. The selected ligands were examined in terms of binding affinity and receptor-ligand interactions on α7 nicotinic acetylcholine receptor using the molecular docking method. AutoDock Vina and GROMACS program packages were used in the molecular docking and simulation process. The results showed that B-973B, ABT-107, and GAT107 were the three most effective ligands in receptor binding affinity, respectively. This study explored the potential efficacy of α7 nicotinic acetylcholine receptor agonists in addressing apical periodontitis.
