论文标题
通过蛋白质接触网络绘制主动变构基因座-SARS-COV峰值蛋白
Mapping active allosteric loci SARS-CoV Spike Proteins by means of Protein Contact Networks
论文作者
论文摘要
冠状病毒是一类病毒，原因是最近爆发了人类严重急性呼吸道综合征。病毒进入后的分子机械和感染性的基于病毒峰值蛋白与血管紧张素转化酶2（ACE2）的形成。在病毒尖峰蛋白上检测假定的变构位点可以追踪开发变构药物以削弱尖峰-ACE2界面强度的路径，从而降低病毒感染性。在这项工作中，我们介绍了蛋白质接触网络（PCN）范式应用于复杂的SARS -COV SPIKE -ACE2相对于2003 SARS和最近的2019年COV的结果。结果指出了两个结构中存在的特定区域，该区域被预测为变构位点调节峰值蛋白与ACE2的结合。
Coronaviruses are a class of virus responsible of the recent outbreak of Human Severe Acute Respiratory Syndrome. The molecular machinery behind the viral entry and thus infectivity is based on the formation of the complex of virus spike protein with the angiotensin-converting enzyme 2 (ACE2). The detection of putative allosteric sites on the viral spike protein can trace the path to develop allosteric drugs to weaken the strength of the spike-ACE2 interface and, thus, reduce the viral infectivity. In this work we present results of the application of the Protein Contact Network (PCN) paradigm to the complex SARS-CoV spike - ACE2 relative to both 2003 SARS and the recent 2019 - CoV. Results point to a specific region, present in both structures, that is predicted to act as allosteric site modulating the binding of the spike protein with ACE2.
