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Design, Synthesis, and Thrombin Inhibitory Activity Evaluation of Some Novel Benzimidazole Derivatives
Author(s) -
Ren Weixin,
Ren Yujie,
Dong Minghui,
Gao Yonghong
Publication year - 2016
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.201500527
Subject(s) - chemistry , benzimidazole , argatroban , thrombin , discovery and development of direct thrombin inhibitors , inhibitory postsynaptic potential , stereochemistry , docking (animal) , combinatorial chemistry , pharmacology , organic chemistry , platelet , medicine , nursing , neuroscience , biology , immunology
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 1 H‐ and 13 C‐ NMR , and HR ‐ ESI ‐ MS . Subsequently, these compounds were evaluated for their inhibitory activities on thrombin. Compound 5a ( IC 50 3.11 n m ) showed a better activity than the reference argatroban ( IC 50 9.88 n m ). These results, along with related molecular model studies, indicated that 5a could be a potential thrombin inhibitor for further research.