A Series of Natural Flavonoids as Thrombin Inhibitors: Structure-activity relationships
A Series of Natural Flavonoids as Thrombin Inhibitors: Structure-activity relationships
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一系列天然黄酮类化合物作为凝血酶抑制剂：构效关系
DOI：
10.1016/j.thromres.2010.08.006
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发表时间：
2010-11-01
影响因子：
7.5
通讯作者：
Duan, Jin'ao
中科院分区：
文献类型：
--
作者：
Liu, Li;Ma, Hongyue;Duan, Jin'ao
采用优化凝血酶时间的方法，对一系列天然黄酮类化合物作为凝血酶抑制剂进行了评价。杨梅素和槲皮素已被证明是最好的凝血酶抑制剂。为了研究凝血酶对最活跃和选择性化合物的识别，利用现有的蛋白质数据库（PDB）结构作为受体模型进行对接实验，进行了分子建模研究。黄酮类化合物在凝血酶上的构效关系将有助于设计具有更高效价的潜在凝血酶抑制剂化合物，并为开发利用黄酮类化合物作为凝血酶抑制剂治疗血栓性疾病提供信息。(C) 2010 Elsevier Ltd.版权所有。
A series of natural flavonoids has been evaluated as potential inhibitors of thrombin using the optimized method of thrombin time. Myricetin and quercetin have shown to be the best thrombin inhibitors tested. In order to investigate the thrombin recognition of the most active and selective compounds, a molecular modeling study has been performed using available Protein Data Bank (PDB) structures as receptor models for docking experiments. Structure-activity relationships of flavonoids (SARs) on thrombin would facilitate the design of chemical compounds with higher potency to serve as potential thrombin inhibitors, and provide information for the exploitation and utilization of flavonoids as thrombin inhibitors for thrombotic disease treatment. (C) 2010 Elsevier Ltd. All rights reserved.