Synthesis and Anticoagulant Bioactivity Evaluation of 1, 2, 5-Trisubstituted Benzimidazole Fluorinated Derivatives |
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Authors: | YANG Haoran REN Yujie GAO Xiaodong GAO Yonghong |
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Affiliation: | College of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 201418, P. R. China |
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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. |
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Keywords: | Benzimidazole derivative Fluorine Anticoagulant bioactivity Molecular docking |
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