天然产物研究与开发 ›› 2017, Vol. 29 ›› Issue (2): 268-272.doi: 10.16333/j.1001-6880.2017.2.015

• 研究简报 • 上一篇    下一篇

基于化学相似性搜索的丹酚酸A潜在靶点预测研究

陈少军*,董珂,陈宏降   

  1. 浙江医药高等专科学校中药学院,宁波 315000
  • 出版日期:2017-02-28 发布日期:2017-03-07

Potential Targets of Salvianolic Acid A Predicted by Chemical Similarity Searching

CHEN Shao-jun*,DONG Ke,CHEN Hong-jiang   

  1. Department of Traditional Chinese Medicine,Zhejiang Pharmaceutical College,Ningbo 315100,China
  • Online:2017-02-28 Published:2017-03-07

摘要: 丹酚酸A是中药丹参中一种水溶性酚酸类化合物,具有较强的抗氧化性,发挥着多种药理作用。但其作用靶点仍需要进一步阐释。本文以SwissTargetPredicition在线服务器为工具,以SAA为研究对象,采用化学相似性搜索其作用靶点。实验结果显示Fyn、Src等Src酪氨酸家族蛋白是SAA作用的潜在靶点,正向分子对接也显示了SAA与Fyn的核心氨基酸有相互作用。综上,Fyn、Src等Src酪氨酸激酶家族蛋白可能是SAA的潜在靶蛋白之一。

关键词: 丹酚酸A, 化学相似性搜索, 酪氨酸蛋白激酶, 靶蛋白

Abstract: Salvianolic acid A (SAA) is a water-soluble component from Danshen.It plays many pharmacological roles in many diseases treatments with its potentialantioxidant activity.But its targets is still need to be illustrated.In this study,SwissTargetPrediction server was used to identify the potential targets of SAA by chemical similarity searching.The results showed that Src tyrosine family protein,such as Fyn and Src,may be the targets of SAA.Moreover,docking results showed SAA can interact with key residues of Fyn.In conclusion,Src tyrosine family protein,such as Fyn and Src,may be the potential targets of SAA.

Key words: salvianolic acid A, chemical similarity searching, tyrosine family protein, target protein

中图分类号: 

R285.5