Centro Regional de Investigaciones Biomédicas (CRIB), Universidad de Castilla La Mancha, Albacete, Spain.
PLoS One. 2011 Apr 7;6(4):e18515. doi: 10.1371/journal.pone.0018515.
Hepatitis C virus (HCV) shows a great geographical diversity reflected in the high number of circulating genotypes and subtypes. The response to HCV treatment is genotype specific, with the predominant genotype 1 showing the lowest rate of sustained virological response. Virally encoded enzymes are candidate targets for intervention. In particular, promising antiviral molecules are being developed to target the viral NS3/4A protease and NS5B polymerase. Most of the studies with the NS5B polymerase have been done with genotypes 1b and 2a, whilst information about other genotypes is scarce. Here, we have characterized the de novo activity of NS5B from genotypes 1 to 5, with emphasis on conditions for optimum activity and kinetic constants. Polymerase cooperativity was determined by calculating the Hill coefficient and oligomerization through a new FRET-based method. The V(max)/K(m) ratios were statistically different between genotype 1 and the other genotypes (p<0.001), mainly due to differences in V(max) values, but differences in the Hill coefficient and NS5B oligomerization were noted. Analysis of sequence changes among the studied polymerases and crystal structures show the αF helix as a structural component probably involved in NS5B-NS5B interactions. The viability of the interaction of αF and αT helixes was confirmed by docking studies and calculation of electrostatic surface potentials for genotype 1 and point mutants corresponding to mutations from different genotypes. Results presented in this study reveal the existence of genotypic differences in NS5B de novo activity and oligomerization. Furthermore, these results allow us to define two regions, one consisting of residues Glu128, Asp129, and Glu248, and the other consisting of residues of αT helix possibly involved in NS5B-NS5B interactions.
丙型肝炎病毒(HCV)表现出很大的地理多样性,这反映在循环基因型和亚型的数量众多上。对 HCV 治疗的反应是基因型特异性的,主要基因型 1 的持续病毒学应答率最低。病毒编码的酶是干预的候选靶点。特别是,正在开发有前途的抗病毒分子来靶向病毒 NS3/4A 蛋白酶和 NS5B 聚合酶。大多数关于 NS5B 聚合酶的研究都是针对基因型 1b 和 2a 进行的,而关于其他基因型的信息却很少。在这里,我们对基因型 1 至 5 的 NS5B 进行了从头活性分析,重点是最佳活性和动力学常数的条件。通过一种新的基于 FRET 的方法计算聚合酶的协同作用,通过计算 Hill 系数和寡聚化来确定聚合酶的协同作用。V(max)/K(m)比值在基因型 1 和其他基因型之间存在统计学差异(p<0.001),主要是由于 V(max)值的差异,但也注意到了 Hill 系数和 NS5B 寡聚化的差异。对研究聚合酶之间的序列变化和晶体结构的分析表明,αF 螺旋作为一个结构成分可能参与 NS5B-NS5B 相互作用。通过对接研究和计算基因型 1 和对应于不同基因型突变的点突变的静电表面电势,证实了αF 和αT 螺旋相互作用的可行性。本研究结果揭示了 NS5B 从头活性和寡聚化存在基因型差异。此外,这些结果使我们能够定义两个区域,一个由残基 Glu128、Asp129 和 Glu248 组成,另一个由αT 螺旋的残基组成,可能参与 NS5B-NS5B 相互作用。