Quantum Mechanical Calculations and Molecular Docking Simulation Studies of N-(5-chloro-2-oxobenzyl)-2-hydroxy-5-methylanilinium Compound
Yazarlar (2)
Prof. Dr. Cem Cüneyt ERSANLI Sinop Üniversitesi, Türkiye
Sultan Başak
| Makale Türü |
Özgün Makale
(Diğer hakemli uluslarası dergilerde yayınlanan tam makale)
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| Dergi Adı | International Scientific and Vocational Studies Journal | ||
| Dergi ISSN | 2618-5938 | ||
| Dergi Tarandığı Indeksler | Index Copernicus | ||
| Makale Dili | Türkçe | Basım Tarihi | 12-2024 |
| Cilt / Sayı / Sayfa | 8 / 2 / 162–177 | DOI | 10.47897/bilmes.1573560 |
| Makale Linki | https://doi.org/10.47897/bilmes.1573560 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| Schiff bases were first synthesized by Hugo Schiff in 1864. The formation of a carbon-nitrogen double bond is what gives specificity to Schiff bases. This double bond is referred to as an imine (R-N=C-R). This double bond contributes to the high activity of Schiff bases, allowing for extensive research across various fields and disciplines. Neurodegenerative diseases are conditions that continuously and irreversibly affect neurons and nerve cells in the central nervous system, and they are among the leading causes of death in developed countries. Alzheimer’s disease, which is a type of neurodegenerative disease, currently has about 5 million new cases each year, and there is no definitive and complete treatment method for it. Individuals with this disease exhibit symptoms such as memory loss, inability to form new memories, and slowing of cognitive functions. Additionally, these patients show imbalances in neurotransmitters responsible for facilitating neural transmission between neurons, particularly an irreversible loss of cholinergic neurons, which are a significant part of the central nervous system. Disruption of homeostasis in the mechanisms of acetylcholinesterase (AChE) and monoamine oxidase (MAO) neurotransmitters is indicated among the causes of Alzheimer’s disease. In this study; the physical, chemical and biological properties of N-(5-chloro-2-oxobenzyl)-2-hydroxy-5-methylanilinium molecule were investigated by quantum mechanical calculation methods. In support of the X-ray results, the geometrical parameters (bond lengths, and bond angles) and quantum chemical properties of the title compound were theoretically realized … |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 3 |