Jiangsu Key Laboratory for TCM Formulae Research, Nanjing University of Chinese Medicine, Nanjing 210046, China.
Thromb Res. 2010 Nov;126(5):e365-78. doi: 10.1016/j.thromres.2010.08.006. Epub 2010 Sep 15.
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.
一系列天然类黄酮已被评估为使用优化的凝血酶时间法潜在的凝血酶抑制剂。研究表明，杨梅素和槲皮素是测试过的最好的凝血酶抑制剂。为了研究最有效和选择性的化合物与凝血酶的识别，使用现有的蛋白质数据库（PDB）结构作为受体模型进行了分子建模研究，进行对接实验。凝血酶的黄酮类化合物结构活性关系（SAR）将有助于设计具有更高效力的化合物作为潜在的凝血酶抑制剂，并为开发和利用黄酮类化合物作为抗血栓疾病治疗的凝血酶抑制剂提供信息。
