分子对接技术研究热休克蛋白27与β受体激动剂的相互作用

Interaction of heat shock protein 27 and β adrenergic agonists by molecular docking

利用分子对接技术,研究热休克蛋白27(heat shock protein 27,HSP27)与β受体激动剂类药物的结合能力,探究HSP27用于检测β受体激动剂的可能性。将人工表达的HSP27和β_2肾上腺素受体(β_2adrenergic receptor,β_2AR)分别与β受体激动剂类药物进行分子对接,比较它们的结合能力的差异性,并对对接结果进行酶联免疫吸附实验(enzyme-linked immunosorbent assay,ELISA)验证。对接结果显示,15种β受体激动剂类药物中有9种药物与HSP27对接的总评分值高于β_2AR。ELISA的结果显示,HSP27可以与HRP-克伦特罗、HRP-非诺特罗和HRP-莱克多巴胺特异性结合,OD值分别为0.685、0525、0.662,这与分子对接结果基本一致。结论:HSP27与β肾上腺素受体激动剂类药物具有较强的结合能力,可以用于检测β肾上腺素受体激动剂的可能性较大。

The molecular docking technology were used to investigate the combining ability of heat shock protein 27（ HSP27）and β adrenergic receptor agonists and the possibility that heat shock protein 27 be used to detect β adrenergic receptor agonists. Artificially expressed heat shock protein 27 and β2adrenergic receptor（ β2AR） were combined with β adrenergic receptor agonists respectively by molecular docking technology. Based on the results of molecular docking,the differences of their combining ability were compared,and then verified by enzyme-linked immunosorbent assay（ ELISA）.The results showed that nine total score of heat shock protein 27 was higher than β2adrenergic receptor with fifteen small molecule drugs ofβ adrenergic receptor agonist in molecular docking.Enzyme-linked immunosorbent assay results showed that heat shock protein27 could be reacted with all three horse radish peroxidase（ HRP）-β adrenergic receptor agonists of clenbuterol,fenoterol,ractopamine specifically and the optical density（ OD） values obtained were 0.685,0525,and 0.662 respectively. The results of enzyme-linked immunosorbent assay are in accordance with the results of molecular docking basically.In this paper,heat shock protein 27 has strong combining ability with β adrenergic agonists,which can be used to detect β adrenergic receptor agonists in all probability.