Department of Medicinal Chemistry, Faculty of Pharmacy and Pharmaceutical Sciences Research Center, Tehran University of Medical Sciences, 1417653761, Tehran, Iran.
Cellular and Molecular Biology Research Center, Health Research Institute, Babol University of Medical Sciences, Babol, 4717647745, Iran.
Chem Biodivers. 2019 Nov;16(11):e1900370. doi: 10.1002/cbdv.201900370. Epub 2019 Oct 7.
A novel series of phthalimide-dithiocarbamate hybrids was synthesized and evaluated for in vitro inhibitory potentials against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). The anti-cholinesterase results indicated that among the synthesized compounds, the compounds 7g and 7h showed the most potent anti-AChE and anti-BuChE activities, respectively. Molecular docking and dynamic studies of the compounds 7g and 7h, respectively, in the active site of AChE and BuChE revealed that these compounds as well interacted with studied cholinesterases. These compounds also possessed drug-like properties and were able to cross the BBB.
合成了一系列新型的邻苯二甲酰亚胺二硫代氨基甲酸盐杂合体，并评估了它们对乙酰胆碱酯酶（AChE）和丁酰胆碱酯酶（BuChE）的体外抑制潜力。抗胆碱酯酶结果表明，在所合成的化合物中，化合物 7g 和 7h 分别表现出最强的抗 AChE 和抗 BuChE 活性。化合物 7g 和 7h 分别在 AChE 和 BuChE 的活性部位进行分子对接和动态研究表明，这些化合物也与研究中的胆碱酯酶相互作用。这些化合物还具有类药性，并能够穿透血脑屏障。
