Event Title
Molecular Docking Studies of Novel Flavonoid Derivatives as Acetylcholinesterase Inhibitors
Faculty Mentor
Chavonda Mills
Keywords
Chavonda Mills
Abstract
Studies show that one of the many factors contributing to Alzheimer’s disease is the hydrolysis of Acetylcholine (ACh) from the enzyme Acetylcholinesterase (AChE). The resulting decrease of ACh concentration in the brain has been linked to complications including, but not limited to, memory loss. 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 in addition to Autodock Vina were used to provide binding free energy values of several ligands of interest. Inhibitory concentration (IC50) values were then calculated, and the results will facilitate the design of novel flavonoid derivatives as AChE inhibitors.
Session Name:
Chemistry II
Start Date
4-4-2014 1:15 PM
End Date
4-4-2014 2:15 PM
Location
HSB 144
Molecular Docking Studies of Novel Flavonoid Derivatives as Acetylcholinesterase Inhibitors
HSB 144
Studies show that one of the many factors contributing to Alzheimer’s disease is the hydrolysis of Acetylcholine (ACh) from the enzyme Acetylcholinesterase (AChE). The resulting decrease of ACh concentration in the brain has been linked to complications including, but not limited to, memory loss. 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 in addition to Autodock Vina were used to provide binding free energy values of several ligands of interest. Inhibitory concentration (IC50) values were then calculated, and the results will facilitate the design of novel flavonoid derivatives as AChE inhibitors.