重组抗肿瘤抗病毒蛋白的三维结构预测及其与受体的相互作用分析

目的: 利用计算机模拟的方法分析重组抗肿瘤抗病毒蛋白(乐复能)的抗病毒及抗肿瘤活性优于普通干扰素(IFNα-2b)的机制.方法: 通过对乐复能、乐复能与干扰素受体形成复合物的结构预测,分析乐复能与其受体的相互作用.结果: 与IFNα-2b相比较,乐复能和受体IFNR1的相互作用力有了明显的提高,结合更加紧密.结论: 计算机模拟的方法可以有效地应用于尚无晶体信息的蛋白类药物及其与受体相互作用的结构预测.

Objective: To analyze the mechanism of the superior activities of recombinant antitumor-antivirus protein(novaferon)to those of IFNα-2b by using computer simulation. Methods: The structures of novaferon and the novaferon-receptor complex were predicted in order to study the mutual interaction of novaferon and its receptor. Results: The mutual interaction force of novaferon and IFNR1 was improved obviously compared with IFNα-2b, and the conjunction was tighter. Conclusion: The method by computer stimulation can be effectively applied to the structure prediction of protein drugs interacting with their receptors which had no clear crystal information.

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