Target‐directed screening of the bioactive compounds specifically binding to β 2 ‐adrenoceptor in Semen brassicae by high‐performance affinity chromatography

• Published in: Journal of molecular recognition Vol. 28; no. 10; pp. 628 - 634
• Main Authors: An, Yuxin, Li, Xia, Sun, Huanmei, Bian, Wenhai, Li, Zijian, Zhang, Youyi, Zhao, Xinfeng, Zheng, Xiaohui
• Format: Journal Article
• Language: English
• Published: 01.10.2015
• ISSN: 0952-3499; 1099-1352
• DOI: 10.1002/jmr.2478

The bioactive ingredients in Semen sinapis were rapidly screened by immobilized β 2 ‐adrenoceptor ( β 2 ‐AR) and target‐directed molecular docking. The methods involved the attachment of β 2 ‐AR using any amino group in the receptor, the simultaneous separation and identification of the retention compounds by high‐performance affinity chromatography; the binding mechanism of the interesting compound to the receptor was investigated by zonal elution and molecular docking. Sinapine in Semen sinapis was proved to be the bioactive compound that specifically binds to the immobilized receptor. The association constant of sinapine to β 2 ‐AR was determined to be 1.36 × 10 5  M −1 with a value of 1.27 × 10 −6  M for the number of binding sites. Ionic bond was believed to be the driving force during the interaction between sinapine and β 2 ‐AR. It is possible to become a powerful alternative for rapid screening of bioactive compounds from a complex matrix such as traditional Chinese medicine and further investigation on the drug–receptor interaction. Copyright © 2015 John Wiley & Sons, Ltd.