Prosetta Antiviral Inc., San Francisco, CA 94107, USA.
Proc Natl Acad Sci U S A. 2013 Mar 5;110(10):E861-8. doi: 10.1073/pnas.1210198110. Epub 2013 Feb 12.
We present an unconventional approach to antiviral drug discovery, which is used to identify potent small molecules against rabies virus. First, we conceptualized viral capsid assembly as occurring via a host-catalyzed biochemical pathway, in contrast to the classical view of capsid formation by self-assembly. This suggested opportunities for antiviral intervention by targeting previously unappreciated catalytic host proteins, which were pursued. Second, we hypothesized these host proteins to be components of heterogeneous, labile, and dynamic multi-subunit assembly machines, not easily isolated by specific target protein-focused methods. This suggested the need to identify active compounds before knowing the precise protein target. A cell-free translation-based small molecule screen was established to recreate the hypothesized interactions involving newly synthesized capsid proteins as host assembly machine substrates. Hits from the screen were validated by efficacy against infectious rabies virus in mammalian cell culture. Used as affinity ligands, advanced analogs were shown to bind a set of proteins that effectively reconstituted drug sensitivity in the cell-free screen and included a small but discrete subfraction of cellular ATP-binding cassette family E1 (ABCE1), a host protein previously found essential for HIV capsid formation. Taken together, these studies advance an alternate view of capsid formation (as a host-catalyzed biochemical pathway), a different paradigm for drug discovery (whole pathway screening without knowledge of the target), and suggest the existence of labile assembly machines that can be rendered accessible as next-generation drug targets by the means described.
我们提出了一种非传统的抗病毒药物发现方法,用于鉴定针对狂犬病病毒的有效小分子。首先,我们将病毒衣壳组装概念化为通过宿主催化的生化途径发生的,与经典的衣壳自组装观点形成对比。这表明通过靶向以前未被重视的催化宿主蛋白,有机会进行抗病毒干预,我们对此进行了研究。其次,我们假设这些宿主蛋白是异质的、不稳定的和动态的多亚基组装机器的组成部分,这些机器不容易通过特定的靶蛋白聚焦方法分离。这表明需要在知道确切的蛋白质靶标之前识别活性化合物。建立了基于无细胞翻译的小分子筛选方法,以重新创建涉及新合成衣壳蛋白作为宿主组装机器底物的假设相互作用。从筛选中获得的阳性结果通过在哺乳动物细胞培养物中对抗感染性狂犬病病毒的功效进行了验证。用作亲和配体,高级类似物被证明可结合一组蛋白质,这些蛋白质可有效地重建无细胞筛选中的药物敏感性,其中包括一小部分但离散的细胞外 ATP 结合盒家族 E1(ABCE1),这是一种先前发现对 HIV 衣壳形成至关重要的宿主蛋白。综上所述,这些研究提出了衣壳形成的替代观点(作为宿主催化的生化途径)、不同的药物发现范例(在不知道靶标的情况下进行全途径筛选),并表明存在不稳定的组装机器,通过所描述的方法可以将其转化为下一代药物靶标。