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多巴胺与其受体组成的多巴胺系统与许多疾病有关,比如帕金森病、精神分裂症等。但是,多巴胺受体的晶体结构一直没有得到解析,给相关疾病的药物开发带来难度。本文采用同源模建的方法,用与D1和D5受体同源性达到34.6%的肾上腺素能受体2vt4作为模板,构建D1和D5受体的三维模型。结果表明:经过优化和动力学模拟,然后用PROCHECK、ERRAT及PROSA程序进行构象和能量的评价,用多巴胺进行对接验证,证明模建的D1受体和D5受体模型是合理的、可靠的。
Dopamine and its receptor composed of dopamine system and many diseases, such as Parkinson’s disease, schizophrenia and so on. However, the crystal structure of dopamine receptors has not been resolved, the development of drugs for related diseases difficult. In this paper, a three-dimensional model of D1 and D5 receptors was constructed by homology modeling using 2vt4, an adrenergic receptor with 34.6% identity to D1 and D5 receptors. The results showed that the optimization and kinetic simulation were used to evaluate the conformation and energy with PROCHECK, ERRAT and PROSA programs. Docking with dopamine proved that the model of D1 receptor and D5 receptor was reasonable and reliable.