Abstract
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.
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