SARS病毒中S蛋白的hAPN受体接合功能域分析(英文)

目的:获得SARS冠状病毒S蛋白与CD13相互作用的信息,发现其可能的配体-受体作用区域和结合位点,为SARS蛋白功能研究以及设计抗SARS药物和疫苗提供线索。方法:在比较基因组学的基础上,通过运用多序列比对、同源性分析和进化分析等手段预测并确定SARS冠状病毒S蛋白与CD13相互作用的区域和结合位点,并用分子模拟和分子对接分析的方法模建S蛋白与CD13在预测区域的相互作用。结果:获得了SARS冠状病毒S蛋白与CD13相互作用的信息,发现了一个冠状病毒S蛋白与CD13相互作用的功能域,以及位于此功能域中的4个可能的相互作用的位点。分子模拟验证了其中一个可能的相互作用的位点。结论:CD13可能是SARS冠状病毒S蛋白结合的一个靶点,它们之间的相互作用可能是SARS病毒感染的途径之一。同时,本研究也为运用生物信息方法寻找蛋白质作用靶点的线索提供了一种策略。

Putative hAPN receptor binding sites in SARS_CoV spike protein

AIM:To obtain the information of ligand-receptor binding between thd S protein of SARS_CoV and CD13, identify the possible interacting domains or motifs related to binding sites, and provide clues for studying the functions of SARS proteins and designing anti-SARS drugs and vaccines. METHODS: On the basis of comparative genomics, the homology search, phylogenetic analyses, and multi-sequence alignment were used to predict CD13 related interacting domains and binding sites sites in the S protein of SARS_CoV. Molecular modeling and docking simulation methods were employed to address the interaction feature between CD13 and S protein of SARS_CoV in validating the bioinformatics predictions. RESULTS:Possible binding sites in the SARS_CoV S protein to CD13 have been mapped out by using bioinformatics analysis tools. The binding for one protein-protein interaction pair (D757-R761 motif of the SARS_CoV S protein to P585-A653 domain of CD13) has been simulated by molecular modeling and docking simulation methods. CONCLUSION:CD13 may be a possible receptor of the SARS_CoV S protein which may be associated with the SARS infection. This study also provides a possible strategy for mapping the possible binding receptors of the proteins in a genome.