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首页> 外文期刊>Asian Journal of Chemistry: An International Quarterly Research Journal of Chemistry >Anticoagulant Activity and Molecular Docking of 7,9-bis(4-Chlorophenyl)-6-methyl-1,4-dioxa-8-azaspiro[4.5]decane through Target Protein Thrombin
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Anticoagulant Activity and Molecular Docking of 7,9-bis(4-Chlorophenyl)-6-methyl-1,4-dioxa-8-azaspiro[4.5]decane through Target Protein Thrombin

机译:7,9-双(4-氯苯基)-6-甲基-1,4-二氧杂-8-氮杂螺[4.5]癸烷的抗凝血活性和分子对接作用通过目标蛋白凝血酶。

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摘要

The present study reported the synthesis and anticoagulant activity of spiro compounds, the potential compound was subjected to study their binding mode and interaction using bioinformatics tools. Among the five compounds tested, 7,9-bis(4-chlorophenyl)-6-methyl-1,4,8-triaza spiro[4.5]decane has prolonged activated partial thromboplastin time and prothrombin time as 22.7s and 18.5s at 25 μg mL~(-1), respectively. Hence, the mandatory way study was carried out for this compound by using bioinformatics method. The interaction results shows that this compound binds in the active site of the target protein thrombin which is similar to that of existing inhibitor and it may also considered as an anticoagulant drug in future.
机译:本研究报道了螺化合物的合成和抗凝活性,使用生物信息学工具对潜在化合物的结合方式和相互作用进行了研究。在测试的五种化合物中,7,9-双(4-氯苯基)-6-甲基-1,4,8-三氮杂螺[4.5]癸烷在25下的活化部分凝血活酶时间和凝血酶原时间分别为22.7s和18.5s微克mL〜(-1)因此,采用生物信息学方法对该化合物进行了强制性研究。相互作用结果表明,该化合物与靶蛋白凝血酶的活性位点结合,与现有抑制剂的活性位点相似,将来也可能被视为抗凝药物。

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