Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives

doi:10.1007/s40242-016-6205-4

高等学校化学研究 ›› 2016, Vol. 32 ›› Issue (6): 973-978.doi: 10.1007/s40242-016-6205-4

Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives

YANG Haoran, REN Yujie, GAO Xiaodong, GAO Yonghong

College of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 201418, P. R. China

收稿日期:2016-05-18 修回日期:2016-06-07 出版日期:2016-12-01 发布日期:2016-08-01
通讯作者: REN Yujie, E-mail:clab@sit.edu.cn E-mail:clab@sit.edu.cn
基金资助:
Supported by the "Industry-university-research Institutions" Collaborative Innovation Fund of Shanghai Institute of Technology, China(No.10120K158014-XTCX2015-14).

Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives

YANG Haoran, REN Yujie, GAO Xiaodong, GAO Yonghong

College of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 201418, P. R. China

Received:2016-05-18 Revised:2016-06-07 Online:2016-12-01 Published:2016-08-01
Contact: REN Yujie, E-mail:clab@sit.edu.cn E-mail:clab@sit.edu.cn
Supported by:
Supported by the "Industry-university-research Institutions" Collaborative Innovation Fund of Shanghai Institute of Technology, China(No.10120K158014-XTCX2015-14).

摘要/Abstract

摘要：

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 char-acterized 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 demonstrated that these compounds may act as candidates for further studies on thrombin inhibitors.

关键词: Benzimidazole derivative, Fluorine, Anticoagulant bioactivity, Molecular docking

Abstract:

Key words: Benzimidazole derivative, Fluorine, Anticoagulant bioactivity, Molecular docking

YANG Haoran, REN Yujie, GAO Xiaodong, GAO Yonghong. Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives[J]. 高等学校化学研究, 2016, 32(6): 973-978.

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Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives

Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives

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