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

doi:10.1007/s40242-016-6205-4

Abstract

Abstract:

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.

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]. Chemical Research in Chinese Universities, 2016, 32(6): 973-978.

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