Molecular docking studies of some natural phytochemical constituents as acetylcholinesterase and butyrylcholinesterase inhibitors

One of the ten major diseases that are the primary causes of death that cannot be slowed, treated, or
prevented is Alzheimer's disease (AD); a form of neurodegenerative disease. According to the 2018 senses,
AD affects persons over 60 years of age, and around 1 in 5 people worldwide have been diagnosed with the
disease. It causes 60-70% of dementia cases and early senility, which is defined as having or exhibiting the
vulnerability of an old age disease, particularly a loss of mental capabilities. These conditions lead to
difficulties in later life. Pre-research investigations often employ molecular docking (MD), one of the
most popular methods for analysing molecular interactions. The objective of this work is to perform
molecular docking of phytoconstituents tomatine, guavanoic acid, isocaryophyllene, and betacaryophyllene with the target enzymes, butylcholinesterase (BchE, 5DYT) and acetylcholinesterase (AchE,
4MoE), which have been associated in the progression of Alzheimer's disease. It also involves the comparison
of phytoconstituents docking ability with the standard drugs used for treating the Alzheimer’s disease
(AD).