Alzheimer’s disease (AD) is the most frequent cause of dementia, especially in the elderly. AD is the most
common progressive neurodegenerative disorder, which involves the loss of structure and function of cholinergic neurons.
Moreover, if these neuronal changes cannot be compensated, this may ultimately lead to neurodegenerative processes.
Therefore, most of the drug therapies are based on the cholinergic hypothesis, which suggests that AD begins as a
deficiency in the production of the neurotransmitter acetylcholine. In this context, many inhibitors play an important role
in AD treatment among which acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) have more potential in the
treatment process of AD. In this study, we selected tea polyphenols of green tea which are reported as AChE and BChE
inhibitors used in the treatment of AD. The molecular docking results revealed that polyphenols exhibit interactions and
inhibit by binding with AChE and BChE. The amount of energy to bind with AChE and BChE needed by
Epigallocatechin-3-gallate was lowest at about -14.45 and -13.30 kcal/mol, respectively. All compounds showed binding
energy values ranging between -14.45 to -9.75 kcal/mol for both types of enzymes. The present docking study suggests
that tea polyphenols inhibit AChE as well as BChE and enhance the cholinergic neurotransmission by prolonging the
time. However, AChE molecules remain in the synaptic cleft. In consideration to these findings, cholinesterase inhibitors
are suggested as the standard drugs for the treatment of AD.