Journal of Chinese Pharmaceutical Sciences ›› 2017, Vol. 26 ›› Issue (5): 366-371.DOI: 10.5246/jcps.2017.05.039

• Original articles • Previous Articles     Next Articles

Analysis on molecular interaction mechanism of four hapten flavonoids in Shuang-huang-lian powder injection with bovine serum albumin

Haixiu Jiang, Yanqing Guan, Xiaotian Zhang, Ya Han, Ningning Guo, Hong Wang, Shizhong Chen*   

  1. Department of Natural Medicines, School of Pharmaceutical Sciences, Peking University Health Science Center, Beijing 100191, China
  • Received:2017-01-12 Revised:2017-02-21 Online:2017-05-26 Published:2017-03-16
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  • Supported by:
    Nature Science Foundation of Beijing, China (Grant No. 7142088).


Baicalein, baicalin, scutellarin and Chrysin-7-O-β-D-glucuronide are the major flavonoids of the Shuang-huang-lian powder injection. These flavonoids are thought to be haptens that can induce allergic reactions. The interaction mechanism of these haptens with bovine serum albumin (BSA) was investigated by surface plasmon resonance (SPR) and molecular modeling method. The SPR study indicated that these compounds could specifically bind to the BSA with one binding site and equilibrium dissociation constant (KD) values were determined. Molecular modeling explored the mechanism of interaction under simulated physiological condition. The result of molecular modeling indicated that flavonoids could bind with BSA in the hydrophobic pocket of sub-domain II with hydrogen bonding as the main acting force.

Key words: Hapten flavonoids, SPR, Molecular modeling, BSA, Interaction

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