Alzheimer Hastalığında İlacın Yeniden Kullanım İçin Hesaplamalı Yaklaşımlar

Alzheimer's disease is a progressive age-related brain disorder. It causes gradual memory loss, changes in personality traits, confusion, impaired thinking, and mood Acetylcholinesterase (AChE) butyrylcholinesterase (BuChE) inhibitors have been chosen for the treatment of Alzheimer’s disease. Dual cholinesterase become new hotspot investigation anti-Alzheimer's drugs. The current study was designed to identify both AChE BuChE enzymes using computational approaches accelerate process identifying an effective Alzheimer. From available drugs, we selected families aspirin imatinib. After adoption molecular docking, found that fendosal from group Flumatinib Imatinib are most active compounds. docking scores -8.160 kcal/mol against while had -9.433 -9.541 with AChE, respectively. 10 ns dynamics simulation flumatinib performed evaluate drug's ability remain stable within binding sites aid RMSD RMSF plots. These results revealed good which could be used vivo vitro studies improve outcomes.