Design, Synthesis, and Thrombin Inhibitory Activity Evaluation of Some Novel Benzimidazole Derivatives

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• 作者：Weixin Ren ; Yujie Ren ; Minghui Dong and Yonghong Gao
• 关键词：Benzimidazole derivatives ; Molecular docking ; Anticoagulation activity ; Reduction
• 刊名：Helvetica Chimica Acta
• 出版年：2016
• 出版时间：April 2016
• 年：2016
• 卷：99
• 期：4
• 页码：325-332
• 全文大小：1077K
• ISSN：1522-2675

文摘

Some benzimidazole derivatives were designed and screened via molecular docking. Six compounds which obtained high scores were selected for synthesis and all compounds were characterized by ¹H- and ¹³C-NMR, and HR-ESI-MS. Subsequently, these compounds were evaluated for their inhibitory activities on thrombin. Compound 5a (IC₅₀ 3.11 nm) showed a better activity than the reference argatroban (IC₅₀ 9.88 nm). These results, along with related molecular model studies, indicated that 5a could be a potential thrombin inhibitor for further research.