Synthesis and anticoagulant bioactivity evaluation of 1,2,5-trisubstituted benzimidazole fluorinated derivatives
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- 作者：Haoran Yang ; Yujie Ren ; Xiaodong Gao…
- 关键词：Benzimidazole derivative ; Fluorine ; Anticoagulant bioactivity ; Molecular docking
- 刊名：Chemical Research in Chinese Universities
- 出版年：2016
- 出版时间：December 2016
- 年：2016
- 卷：32
- 期：6
- 页码：973-978
- 全文大小：
- 刊物主题：Chemistry/Food Science, general; Analytical Chemistry; Inorganic Chemistry; Organic Chemistry; Physical Chemistry;
- 出版者：Jilin University and The Editorial Department of Chemical Research in Chinese Universities
- ISSN：2210-3171
- 卷排序：32
文摘
Some 1,2,5-trisubstituted benzimidazole fluorinated derivatives were designed and screened by molecular docking. Five compounds which obtained high scores were selected to synthesize. All the target products were cha-racterized by 1H NMR, 13C NMR and high resolution mass spectra(HRMS) and preliminarily screened for inhibitory activity against thrombin, among which three compounds(5a, 5c and 5e) were evaluated in vitro. The results showed that compounds 5a, 5c and 5e exhibited better anticoagulant activity than argatroban. Docking simulations demon-strated that these compounds may act as candidates for further studies on thrombin inhibitors.