Investigation of various chemical compounds for alzheimer's treatment with molecular modelling methods

Alzheimer's disease (AD) is the most common type of dementia seen in the elderly and is an irreversible neurodegenerative disease that causes problems with memory, thinking, and behavior. AD affects more than 55 million people and ranks fifth among the causes of death worldwide. The pathogenesis of AD is not fully understood. Although there are effective treatments, none of the existing drugs can completely stop the progression of the disease. Therefore, new drugs with higher treatment effectiveness and fewer side effects are needed. In this context, this thesis study aims to study the interaction mechanisms of new chemical compounds at the molecular level with molecular modeling methods that are more effective and have lower side effects than existing drug molecules for AChE and BChE enzymes, which are important targets of drugs used in the treatment of AH. In this direction, the interaction mechanism of 43 chalcone-derived compounds for AChE and BChE enzymes was evaluated by molecular docking method. In addition, the properties of these compounds, such as absorption, distribution, metabolism, elimination, and toxicity (ADMET), were examined to evaluate their in silico pharmacokinetic analysis. Thus, thanks to the research of compounds for AChE and BChE enzymes that play an important role in treating Alzheimer's by molecular modeling methods, it will be possible to develop specific new drug candidate compounds for the target.