Nadeem Muhammad Shahid, Khan Jalaluddin Azam, Kazmi Imran, Moglad Ehssan, Afzal Muhammad, Alzarea Sami I, Rahim Fazal, Khan Shoaib, Muhammad Khushi, Gupta Gaurav
Department of Biochemistry, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia.
Department of Pharmaceutics, College of Pharmacy, Prince Sattam bin Abdulaziz University, Alkharj, Saudi Arabia.
Future Med Chem. 2024 Dec 4:1-9. doi: 10.1080/17568919.2024.2421158.
Nitrogen and sulfur-containing compounds are the core components utilized for synthesis of different heterocyclic moieties.
METHODS & RESULTS: In this research, a series of new analogues containing thiazolidinone have been synthesized in order to evaluate their activity against acetylcholinesterase and butyrylcholinesterase. Potent analogues were further subjected for molecular docking in order to study their protein-ligand interactions. The highly active analogues were also subjected for DFT, which confirmed the binding properties, electrical properties, and nature with the targeted enzyme. ADMET analysis also confirms the druglikeness properties of the synthesized series.
Analog (IC = µM) exhibit excellent inhibition in comparison with the standard drug donepezil in view of inhibiting Alzheimer's disease.
含氮和硫的化合物是用于合成不同杂环部分的核心成分。
在本研究中，为了评估一系列含噻唑烷酮的新类似物对乙酰胆碱酯酶和丁酰胆碱酯酶的活性，已合成了这些类似物。对强效类似物进一步进行分子对接，以研究它们与蛋白质配体的相互作用。还对高活性类似物进行了密度泛函理论（DFT）研究，证实了它们与靶向酶的结合特性、电学性质和性质。ADMET分析也证实了合成系列的类药性质。
鉴于对阿尔茨海默病的抑制作用，类似物（IC = μM）与标准药物多奈哌齐相比表现出优异的抑制作用。
