Interaction of heat shock protein 27 and β adrenergic agonists by molecular docking
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摘要: 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β2肾上腺素受体(β2 adrenergic receptor,β2AR)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β2AR。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。
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关键词:
- 分子对接技术 /
- 热休克蛋白27(HSP27) /
- β2肾上腺素受体 /
- β受体激动剂
Abstract: 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 β2 adrenergic 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 β2 adrenergic receptor with fifteen small molecule drugs of β adrenergic receptor agonist in molecular docking. Enzyme-linked immunosorbent assay results showed that heat shock protein 27 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.
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