Molecular Interaction of Acetylcholinesterase with Carnosic Acid Derivatives: A Neuroinformatics Study
Mohammad A. Kamal.
Alzheimer's disease is a progressive degenerative disease of the brain marked by gradual and irreversible
declines in cognitive functions. Acetylcholinesterase (AChE) plays a biological role in the termination of nerve impulse
transmissions at cholinergic synapses by rapid hydrolysis of its substrate, "acetylcholine". The deficit level of
acetylcholine leads to deprived nerve impulse transmission. Thus the cholinesterase inhibitors would reverse the deficit in
acetylcholine level and consequently may reverse the memory impairments, which is characteristic of the Alzheimer's
disease. The molecular interactions between AChE and Carnosic acid, a well known antioxidant substance found in the
leaves of the rosemary plant has always been an area of interest. Here in this study we have performed in silico approach
to identify carnosic acid derivatives having the potential of being a possible drug candidate against AChE. The best
candidates were selected on the basis of the results of different scoring functions.
Keywords: Acetylcholinesterase, carnosic acid derivatives, docking.
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