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3 weeks |
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ACTA Pharmaceutica Sciencia
2025 , Vol 63 , Num 1
In silico evaluation of some 7nAChR agonists in apical periodontitis: The role of the cholinergic anti-inflammatory pathway
1 Near East University, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, North Cyprus via Mersin 10, Türkiye2 Near East University, Department of Endodontics, Faculty of Dentistry, North Cyprus via Mersin 10, Türkiye
3 Near East University, Department of Pharmacology, Faculty of Dentistry, North Cyprus via Mersin 10, Türkiye
DOI : 10.23893/1307-2080.APS6311 Viewed : 2977 - Downloaded : 1434 Activation of the ?7 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 ?7 nicotinic receptor agonists in apical periodontitis. In this study, we identified some ?7 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 ?7 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 ?7 nicotinic acetylcholine receptor agonists in addressing apical periodontitis. Keywords : ?7nAChR, apical periodontitis, cholinergic pathway, inflammation, molecular docking