活性三磷酸形式2′-α-氟,2′-β-溴化吡啶抑制黄热病病毒RNA依赖性RNA聚合酶的机制

IF 3.8 2区 医学 Q2 CHEMISTRY, MEDICINAL
ACS Infectious Diseases Pub Date : 2025-06-13 Epub Date: 2025-05-05 DOI:10.1021/acsinfecdis.5c00086
Calvin Joel Gordon, Simon Maximus Walker, Julia Christine LeCher, Franck Amblard, Raymond Felix Schinazi, Matthias Götte
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引用次数: 0

摘要

黄热病病毒(YFV)是一种致命的蚊媒黄病毒,每年约有20万人感染。在整个南美洲和非洲,YFV的暴发和感染持续存在,显示出巨大的流行潜力。尽管存在一种经批准的有效疫苗,但YFV的人畜共患性质破坏了任何可能的根除努力,突出表明需要有效的直接作用抗病毒药物。RNA依赖性RNA聚合酶(RdRp)对病毒复制至关重要,是一种已被证实的治疗靶点。一个突出的例子包括sofosbuvir,这是一种被批准用于治疗丙型肝炎病毒(HCV)的2'-α-氟,2'-β-甲基尿嘧啶前药,已在体外证明对YFV有效。一种结构相似的2′-α-氟,2′-β-溴吡啶前药在体外和体内均表现出强大的抗yfv活性。在此,我们在昆虫细胞中表达了YFV的全长非结构蛋白5,以研究这些前药的活性三磷酸形式。酶动力学表明,这两种核苷酸类似物的结合效率都低于UTP。一旦掺入,类似物通过立即链终止抑制RNA合成。省略2'-β修饰减轻了对RNA合成的抑制,突出了其在引发抗病毒作用中的作用。S282T是HCV RdRp基序B中一个特征明确的突变,它赋予索非布韦耐药性。我们发现YFV (S603T)中的类似取代提高了对2'-α-氟,2'-β-修饰尿苷类似物的辨别能力。总的来说,我们的发现解释了它们观察到的抗yfv活性,并确定了一种保守的抗性机制。基于其体内疗效和作用机制,2'-氟,2'-溴吡啶前药显示出未来治疗YFV的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mechanism of Inhibition of the Active Triphosphate Form of 2'-α-Fluoro,2'-β-bromouridine against Yellow Fever Virus RNA-Dependent RNA Polymerase.

Yellow fever virus (YFV) is a deadly mosquito-borne flavivirus that infects approximately 200,000 individuals each year. YFV outbreak and infection are persistent throughout South America and Africa, demonstrating significant epidemic potential. Although an approved and effective vaccine exists, the zoonotic nature of YFV undermines any potential eradication efforts, highlighting the need for effective, direct-acting antivirals. Essential for viral replication, RNA-dependent RNA polymerase (RdRp) is a proven therapeutic target. A prominent example includes sofosbuvir, a 2'-α-fluoro,2'-β-methyluridine prodrug approved for the treatment of hepatitis C virus (HCV), that has demonstrated efficacy against YFV in vitro. A structurally similar 2'-α-fluoro, 2'-β-bromouridine prodrug has exhibited potent anti-YFV activity both in vitro and in vivo. Here, we expressed the full-length nonstructural protein 5 from YFV in insect cells to investigate the active triphosphate form of these prodrugs. Enzyme kinetics indicate that both nucleotide analogs are incorporated less efficiently than UTP. Once incorporated, the analogs inhibit RNA synthesis through immediate chain termination. Omitting the 2'-β-modification alleviates the inhibition of RNA synthesis, highlighting its role in eliciting an antiviral effect. S282T is a well-characterized mutation in motif B of HCV RdRp that confers resistance to sofosbuvir. We discovered that the analogous substitution in YFV (S603T) improved discrimination against the 2'-α-fluoro,2'-β-modified uridine analogs. Collectively, our findings explain their observed anti-YFV activity and identify a conserved mechanism of resistance. Based on its in vivo efficacy and mechanism of action, the 2'-fluoro,2'-bromouridine prodrug shows potential for future therapeutic strategies against YFV.

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来源期刊
ACS Infectious Diseases
ACS Infectious Diseases CHEMISTRY, MEDICINALINFECTIOUS DISEASES&nb-INFECTIOUS DISEASES
CiteScore
9.70
自引率
3.80%
发文量
213
期刊介绍: ACS Infectious Diseases will be the first journal to highlight chemistry and its role in this multidisciplinary and collaborative research area. The journal will cover a diverse array of topics including, but not limited to: * Discovery and development of new antimicrobial agents — identified through target- or phenotypic-based approaches as well as compounds that induce synergy with antimicrobials. * Characterization and validation of drug target or pathways — use of single target and genome-wide knockdown and knockouts, biochemical studies, structural biology, new technologies to facilitate characterization and prioritization of potential drug targets. * Mechanism of drug resistance — fundamental research that advances our understanding of resistance; strategies to prevent resistance. * Mechanisms of action — use of genetic, metabolomic, and activity- and affinity-based protein profiling to elucidate the mechanism of action of clinical and experimental antimicrobial agents. * Host-pathogen interactions — tools for studying host-pathogen interactions, cellular biochemistry of hosts and pathogens, and molecular interactions of pathogens with host microbiota. * Small molecule vaccine adjuvants for infectious disease. * Viral and bacterial biochemistry and molecular biology.
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