Using drug repositioning approach to alzheimer's disease treatment and future perspective

Alzheimer's disease is a degenerative brain disorder of unknown etiology which is the most common form of dementia that usually starts in late middle age or in old age, results in progressive memory loss, impaired thinking, disorientation, and changes in personality and mood. Therefore, we here used computational approaches to accelerate the process of discovering effective treatment for Alzheimer's disease. From the available drugs, we selected families of Aspirin and Imatinib. After adoption of molecular docking, we found that Fendosal from Aspirin group and Flumatinib from Imatinib group were most significant. The binding energy of Fendosal was (-8.240 kcal/mol) against AChE and (-7.836 kcal/mol) against BuChE while the binding energy of Flumatinib was (-9.541 kcal/mol) against AChE and (-9.432 kcal/mol) against BuChE. The 10 ns molecular dynamics simulation was performed for complexed Fendosal and Flumatinib with AChE and BuChE to appraise the stability of these drugs inside the binding sites of AChE and BuChE. These results revealed that Flumatinib and Fendosal are a good inhibitor for both BuChE and AChE. In summary both of Fendosal and Flumatinib can be as first step for in vivo and in vitro studies. Keywords: Alzheimer's Disease, Drug Repositioning, Molecular Docking, Aspirin, Imatinib.