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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 antiviral and antitumor activity of recombinant antitumor anti-viral protein (levofare) over IFNα-2b by computer simulation. Methods: Based on the structure prediction of Le Funeng, Le Funeng and interferon receptor formation complex, the interaction between Le Funeng and its receptor was analyzed. RESULTS: Compared with IFNα-2b, the interaction between leflunomide and receptor IFNR1 was significantly increased and the binding was more closely related. Conclusion: The computer simulation method can be effectively applied to predict the structure of protein drugs and their interaction with receptors without crystal information.