Hu Zongyi, Rolt Adam, Hu Xin, Ma Christopher D, Le Derek J, Park Seung Bum, Houghton Michael, Southall Noel, Anderson D Eric, Talley Daniel C, Lloyd John R, Marugan Juan C, Liang T Jake
Liver Diseases Branch, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, 10 Center Drive, Bethesda, MD 20892, USA.
Division of Pre-Clinical Innovations, National Center for Advancing Translational Sciences, National Institutes of Health, 9800 Medical Center Drive, Rockville, MD 20850, USA.
Cell Chem Biol. 2020 Jul 16;27(7):780-792.e5. doi: 10.1016/j.chembiol.2020.04.006. Epub 2020 May 7.
Chlorcyclizine (CCZ) is a potent hepatitis C virus (HCV) entry inhibitor, but its molecular mechanism is unknown. Here, we show that CCZ directly targets the fusion peptide of HCV E1 and interferes with the fusion process. Generation of CCZ resistance-associated substitutions of HCV in vitro revealed six missense mutations in the HCV E1 protein, five being in the putative fusion peptide. A viral fusion assay demonstrated that CCZ blocked HCV entry at the membrane fusion step and that the mutant viruses acquired resistance to CCZ's action in blocking membrane fusion. UV cross-linking of photoactivatable CCZ-diazirine-biotin in both HCV-infected cells and recombinant HCV E1/E2 protein demonstrated direct binding to HCV E1 glycoprotein. Mass spectrometry analysis revealed that CCZ cross-linked to an E1 sequence adjacent to the putative fusion peptide. Docking simulations demonstrate a putative binding model, wherein CCZ binds to a hydrophobic pocket of HCV E1 and forms extensive interactions with the fusion peptide.
氯环嗪(CCZ)是一种有效的丙型肝炎病毒(HCV)进入抑制剂,但其分子机制尚不清楚。在此,我们表明CCZ直接靶向HCV E1的融合肽并干扰融合过程。体外产生与CCZ抗性相关的HCV替代突变揭示了HCV E1蛋白中的六个错义突变,其中五个位于推定的融合肽中。病毒融合试验表明,CCZ在膜融合步骤阻断HCV进入,并且突变病毒对CCZ阻断膜融合的作用产生抗性。在HCV感染的细胞和重组HCV E1/E2蛋白中对光活化的CCZ-重氮嗪-生物素进行紫外线交联,证明其与HCV E1糖蛋白直接结合。质谱分析表明,CCZ与推定融合肽相邻的E1序列交联。对接模拟展示了一个推定的结合模型,其中CCZ与HCV E1的疏水口袋结合并与融合肽形成广泛的相互作用。