Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors
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- 作者：Ay?e Selcen Alpan ; S¨¹l¨¹nay Parlar ; Luca Carlino ; Ayse H ; e Tarikogullari ; Vildan Alpt¨¹z¨¹n ; Hasan Semih G¨¹ne?
- 关键词：AChE ; acetylcholinesterase ; BuChE ; butyrylcholinesterase ; AD ; Alzheimer&rsquo ; s disease ; AChEI ; acetylcholinesterase inhibitors ; A¦Â ; ¦Â-amyloid ; PAS ; peripheral anionic site ; eeAChE ; Electrophorus electricus AChE ; TcAChE ; Torpedo californica AChE ; hAChE
- 刊名：Bioorganic and Medicinal Chemistry
- 出版年：2013
- 出版时间：1 September, 2013
- 年：2013
- 卷：21
- 期：17
- 页码：4928-4937
- 全文大小：1854 K
文摘
A series of N-{2-[4-(1H-benzimidazole-2-yl)phenoxy]ethyl}substituted amine derivatives were designed to assess cholinesterase inhibitor activities. Acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibitor activities were evaluated in vitro by using Ellman¡¯s method. It was discovered that most of the compounds displayed AChE and/or BuChE inhibitor activity and few compounds were selective against AChE/BuChE. Compound 3c and 3e were the most active compounds in the series against eeAChE and hAChE, respectively. Molecular docking studies and molecular dynamics simulations were also carried out.