Studies show that one of the many factors contributing to Alzheimer's disease is the hydrolysis of acetylcholine (ACh) from the enzyme acetylcholinesterase (AChE). Research has also found that AChE inhibitors decrease the rate at which ACh is metabolized, therefore increasing the concentration of ACh in the brain. Thus, the development of AChE inhibitors for the treatment of Alzheimer's disease is essential. The proposed research presents docking studies of novel flavonoid derivatives at the AChE active site. Autodock 4.0 as well as Autodock Vina were used to determine binding free energy and inhibitory concentration (IC50) values were calculated. The results will facilitate the design of novel flavonoid derivatives as AChE inhibitors.

Molecular docking studies of novel flavonoid derivatives as acetylcholinesterase inhibitors

245th National Meeting (2013)

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